SCHEMBL393190

SCHEMBL393190

Cc1cc(C#N)ccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
CYP2A6 P11509 2/20 0.48
ALDH1A1 P00352 1/20 0.48
IMPDH2 P12268 1/20 0.41
IMPDH1 P20839 1/20 0.41
EGLN2 Q96KS0 4/20 0.41
AR P10275 4/20 0.40
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
FFAR1 O14842 1/20 0.37
CA12 O43570 1/20 0.37
CA2 P00918 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
S1PR3 Q99500 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Butane SCHEMBL9292630 0.92 TSHR (0.43) TSHRCYP2A6ALDH1A1IMPDH2IMPDH1
SCHEMBL16955741 0.85 TSHR (0.45) TSHRCYP2A6ALDH1A1EGLN2AR
SCHEMBL23235784 0.85 CYP2A6 (0.43) TSHRCYP2A6ALDH1A1IMPDH2IMPDH1
SCHEMBL6313896 0.85 CYP2A6 (0.43) TSHRCYP2A6ALDH1A1IMPDH2IMPDH1
SCHEMBL14183919 0.85 TSHR (0.45) TSHRCYP2A6ALDH1A1EGLN2AR
SCHEMBL21899532 0.83 KIF11 (0.47) TSHRCYP2A6ALDH1A1EGLN2AR
SCHEMBL26392151 0.81 ALDH1A1 (0.50) TSHRCYP2A6ALDH1A1ARCYP11B1
SCHEMBL1003188 0.81 TSHR (0.50) TSHRCYP2A6ALDH1A1IMPDH2IMPDH1
SCHEMBL1436903 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1IMPDH2IMPDH1EGLN2
SCHEMBL29814587 0.80 CYP2A6 (0.52) CYP2A6ALDH1A1IMPDH2IMPDH1EGLN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 213 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613714-A Method for preparing functionalized triazine covalent organic framework material and application of functionalized triazine covalent organic framework material in preparation of low-carbon alcohol by catalyzing cellulose 齐鲁工业大学(山东省科学院) 2025-03-14 CN claimed
CN-119390975-A Dispersible covalent triazine skeleton and preparation method and application thereof 人工智能与数字经济广东省实验室(深圳) 2025-02-07 CN claimed
CN-114805172-B Method for synthesizing asymmetric heterocyclic diaryl methane compound 陇东学院 2024-04-23 CN claimed
CN-116041699-A Triazine organic electrode material and preparation method and application thereof 上海交通大学 2023-05-02 CN claimed
CN-112023981-B Covalent triazine organic framework material and preparation method and application thereof 香港中文大学(深圳) 2023-04-28 CN claimed
CN-112023981-A Covalent triazine organic framework material and preparation method and application thereof 香港中文大学(深圳) 2020-12-04 CN claimed
CN-103275089-A Monohydroxy ethoxy asymmetrical chlorinated metallic indium phthalocyanine as well as preparation method and application thereof UNIV CHANGCHUN SCIENCE & TECH 2013-09-04 CN claimed
US-6476219-B1 Methods for preparing phthalocyanine compositions XEROX CORPORATION 2002-11-05 US claimed
US-6197867-B1 DINITRILE PROCESSING AIDS THE GOODYEAR TIRE & RUBBER COMPANY 2001-03-06 US claimed
US-4448940-A POLYOXAZOLINES BASED ON DINITRILES AND DIEPOXY COMPOUNDS; POLYISOCYANURATE; FLEXIBILITY; PRINTED CIRCUITS HITACHI, LTD. (JP) 1984-05-15 US claimed
US-4254012-A Reinforced composites containing cyanato resins CIBA-GEIGY CORPORATION (US) 1981-03-03 US claimed
CN-116259840-B Preparation method of lithium ion quick-charging battery electrolyte 河南省法恩莱特新能源科技有限公司 2025-05-27 CN disclosed
CN-119613714-A Method for preparing functionalized triazine covalent organic framework material and application of functionalized triazine covalent organic framework material in preparation of low-carbon alcohol by catalyzing cellulose 齐鲁工业大学(山东省科学院) 2025-03-14 CN disclosed
CN-119390975-A Dispersible covalent triazine skeleton and preparation method and application thereof 人工智能与数字经济广东省实验室(深圳) 2025-02-07 CN disclosed
EP-4400172-A2 PIPERIDIN-4-YL AZETIDINE DERIVATIVES AS JAK1 INHIBITORS Incyte Holdings Corporation (US) 2024-07-17 EP disclosed
EP-0078503-B1 THERMOSETTING RESIN COMPOSITION AND PREPOLYMER THEREOF Hitachi, Ltd. (JP) 1986-02-26 EP disclosed
EP-0161632-A2 Pyrrolo-benzimidazoles, process for their preparation, medicaments containing them and intermediates Roche Diagnostics GmbH (DE) 1985-11-21 EP disclosed
US-4448940-A POLYOXAZOLINES BASED ON DINITRILES AND DIEPOXY COMPOUNDS; POLYISOCYANURATE; FLEXIBILITY; PRINTED CIRCUITS HITACHI, LTD. (JP) 1984-05-15 US disclosed
EP-0078503-A1 Thermosetting resin composition and prepolymer thereof Hitachi, Ltd. (JP) 1983-05-11 EP disclosed
US-3956320-A FIREPROOFING GENERAL ELECTRIC COMPANY (US) 1976-05-11 US disclosed