SCHEMBL2895440

SCHEMBL2895440

Cc1cc(C)c(N2C=NCC2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CRHR1 P34998 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL7945380 1.00 ALDH1A1 (0.34) ALDH1A1NPSR1POLBMAPTHTT
Bromide SCHEMBL30100053 0.98 ALDH1A1 (0.33) ALDH1A1NPSR1POLBMAPTHTT
Hydrochloric Acid SCHEMBL4133662 0.98 ALDH1A1 (0.33) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL30787938 0.89 ALDH1A1 (0.36) ALDH1A1NPSR1POLBMAPTHTT
SCHEMBL9382328 0.80 GAA (0.36) ALDH1A1POLBMAPTHTTKDM4E
Hydrochloric Acid SCHEMBL12502204 0.79 MYC (0.32)
SCHEMBL7729842 0.78 MAPT (0.34) ALDH1A1NPSR1POLBMAPTKDM4E
SCHEMBL28532318 0.75 ALDH1A1 (0.32) ALDH1A1POLB
SCHEMBL5740940 0.72 ALDH1A1 (0.39) ALDH1A1NPSR1POLBMAPTHTT
Hydrochloric Acid SCHEMBL22685877 0.69 TYR (0.34) NPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659065-A Method for preparing beta-boron-substituted aldehyde derivative 中国科学院大连化学物理研究所 2024-03-08 CN claimed
CN-115052914-A Shelf life extended bulk polymerized polycycloolefin compositions as optical materials 普罗米鲁斯有限责任公司 2022-09-13 CN claimed
CN-104650291-B Method for preparing reinforced butadiene styrene rubber by olefin metathesis catalyst 中国石油天然气股份有限公司 2018-02-02 CN claimed
CN-107540896-A Preparation method of easily-processed flame-retardant nitrile rubber 中国石油天然气股份有限公司 2018-01-05 CN claimed
CN-107540899-A Preparation method of easily-processed flame-retardant styrene butadiene rubber 中国石油天然气股份有限公司 2018-01-05 CN claimed
CN-105732689-A Rubber reinforcing agent, preparation method thereof and preparation method of reinforced nitrile rubber 中国石油天然气股份有限公司 2016-07-06 CN claimed
CN-105732907-A Preparation method of graft reinforced nitrile rubber 中国石油天然气股份有限公司 2016-07-06 CN claimed
CN-118221912-A Prepolymer, resin composition comprising the same, and articles thereof 台光电子材料股份有限公司 2024-06-21 CN disclosed
CN-117659065-A Method for preparing beta-boron-substituted aldehyde derivative 中国科学院大连化学物理研究所 2024-03-08 CN disclosed
US-20240079622-A1 METAL-CONTAINING POLYMERIC ION CONDUCTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2024-03-07 US disclosed
CN-117279933-A Cyclic compounds having selective KRAS inhibition relative to HRAS and NRAS 中外制药株式会社 2023-12-22 CN disclosed
CN-117202936-A Glucagon-like peptide compounds 诺华股份有限公司 2023-12-08 CN disclosed
EP-4272278-A1 METAL-CONTAINING POLYMERIC ION CONDUCTORS TECHNION RESEARCH & DEVELOPMENT FOUNDATION LIMITED (IL) 2023-11-08 EP disclosed
EP-1825913-A1 New catalyst systems and their application for metathesis reactions Lanxess Deutschland GmbH & Co.KG (DE) 2007-08-29 EP disclosed
CN-1265881-C High activity metal carbene metathesis catalysts prepared using thermally activated N-heterocyclic carbene precursors CALIFORNIA INST OF TECHN (US) 2006-07-26 CN disclosed
US-6403801-B1 MIXING IN LIQUID MEDIUM STRONG BASE, ARYL HALIDE OR ARYL PSEUDOHALIDE, ARYLBORONIC ACID, NICKEL, PALLADIUM OR PLATINUM COMPOUND, N-HETEROCYCLIC CARBENE SELECTED FROM IMIDAZOLINE-2-YLIDENE, BIS(IMIDAZOLINE-2-YLIDENE) OR SALTS UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION 2002-06-11 US disclosed
US-6316380-B1 ONE TRANSITION METAL COMPOUND AND AT LEAST ONE N-HETEROCYCLIC CARBENE OR ITS PROTONATED SALT UNIVERSITY OF NEW ORLEANS RESEARCH & TECHNOLOGY FOUNDATION 2001-11-13 US disclosed
WO-2001066248-A2 C-C AND C-N COUPLING CATALYST COMPRISING TRANSITION METAL AND CARBENE UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION (US) 2001-09-13 WO disclosed
EP-1093475-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS Borealis Technology Oy (FI) 2001-04-25 EP disclosed
WO-2000001739-A1 CATALYST FOR THE POLYMERISATION OF OLEFINS BOREALIS TECHNOLOGY OY (FI) 2000-01-13 WO disclosed