SCHEMBL158382

SCHEMBL158382

N#COc1cccc(Cc2cccc(OC#N)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP1A1 P04798 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP1B1 Q16678 1/20 0.36
TAAR1 Q96RJ0 3/20 0.36
IDO1 P14902 2/20 0.36
AGXT P21549 2/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35
PGGT1B P53609 1/20 0.35
HTR1B P28222 1/20 0.35
ACHE P22303 1/20 0.34
LTA4H P09960 2/20 0.34
DHFR P00374 1/20 0.34
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34

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
SCHEMBL23776528 0.89 HRH3 (0.47)
SCHEMBL14730561 0.84 TSHR (0.44) MEN1KMT2ALTA4H
SCHEMBL28286056 0.84 PNMT (0.44) TAAR1IDO1AGXT
SCHEMBL28114320 0.82 IDO1 (0.41) MEN1KMT2AIDO1AGXT
SCHEMBL26009 0.82 KMT2A (0.41) MEN1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL10835184 0.80 ALDH1A1 (0.39) MEN1KMT2ACYP1A2IDO1AGXT
SCHEMBL15219409 0.80 F2 (0.34) MEN1KMT2ACYP1A1CYP1A2CYP1B1
SCHEMBL20350466 0.80 TAAR1 (0.49) TAAR1IDO1AGXTACHE
SCHEMBL19808928 0.78 KMT2A (0.38) MEN1KMT2AACHE
SCHEMBL12208798 0.77 F10 (0.44) ACHEMTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11566097-B2 Degradable polymer composition for use in downhole tools and method of manufacturing CNPC USA Corp. (US) 2023-01-31 US disclosed
US-11384266-B2 Surfacing and/or joining method 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-07-12 US disclosed
EP-3523354-B1 CURABLE COMPOSITIONS AND RELATED METHODS 3M INNOVATIVE PROPERTIES CO (US) 2022-05-11 EP disclosed
EP-3535213-B1 CURABLE RESIN INCLUDING NANOPARTICLES INCLUDING SURFACE-BONDED HYDROPHOBICALLY-MODIFYING ALKYL GROUPS 3M INNOVATIVE PROPERTIES CO (US) 2021-06-23 EP disclosed
US-11015040-B2 Curable resin including nanoparticles including surface-bonded hydrophobically-modifying alkyl groups 3M INNOVATIVE PROPERTIES COMPANY (US) 2021-05-25 US disclosed
EP-3033379-B1 NANOCOMPOSITES CONTAINING SILICA NANOPARTICLES AND DISPERSANT, COMPOSITES, ARTICLES, AND METHODS OF MAKING SAME 3M INNOVATIVE PROPERTIES CO (US) 2020-12-02 EP disclosed
US-10815408-B2 Curable compositions and related methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2020-10-27 US disclosed
EP-2435178-B1 PROCESS FOR MAKING FILLED RESINS 3M INNOVATIVE PROPERTIES CO (US) 2020-08-12 EP disclosed
US-10450444-B2 Nanocomposites containing spherical pyrogenic silica nanoparticles and composites, articles, and methods of making same 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-10-22 US disclosed
US-10442914-B2 Nanocomposites containing silica nanoparticles and dispersant, composites, articles, and methods of making same 3M INNOVATIVE PROPERTIES COMPANY (US) 2019-10-15 US disclosed
EP-0826017-B1 CURABLE RESIN SOLS MINNESOTA MINING & MFG (US) 2004-03-31 EP disclosed
EP-0826017-A1 CURABLE RESIN SOLS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1998-03-04 EP disclosed
US-5648407-A Curable resin sols and fiber-reinforced composites derived therefrom MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-07-15 US disclosed
WO-1996036665-A1 CURABLE RESIN SOLS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-11-21 WO disclosed
EP-0402975-B1 Benzocyclobutene carboxylate esters SHELL INT RESEARCH (NL) 1994-08-10 EP disclosed
US-5142022-A Thermosetting resin compositions comprising an unsaturated spirodilactam SHELL OIL COMPANY (US) 1992-08-25 US disclosed
EP-0402975-A2 Benzocyclobutene carboxylate esters SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-12-19 EP disclosed
US-4954584-A Thermosetting resin compositions SHELL OIL COMPANY (US) 1990-09-04 US disclosed
US-4927908-A Curable resin composition comprising cyanato aryl spirodilactam SHELL OIL COMPANY (US) 1990-05-22 US disclosed
US-4921931-A Thermosetting resin compositions SHELL OIL COMPANY (US) 1990-05-01 US disclosed