SCHEMBL25680960

SCHEMBL25680960

Cc1cc(OC#N)ccc1C#N

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 11/20 0.44
MRGPRX4 Q96LA9 1/20 0.43
TSHR P16473 1/20 0.43
ESRRA P11474 1/20 0.36
SLC22A12 Q96S37 1/20 0.36
PGR P06401 1/20 0.36
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL20432862 0.84 TSHR (0.43) ARTSHRALDH1A1MAOB
SCHEMBL509379 0.82 AR (0.50) ARMRGPRX4TSHRPGRKDM4E
SCHEMBL9719145 0.81 TDP1 (0.41) ALDH1A1
SCHEMBL29489131 0.81 TDP1 (0.41) ALDH1A1
SCHEMBL24074650 0.81 AR (0.46) ARMRGPRX4TSHRKDM4EALDH1A1
SCHEMBL6110658 0.78 AR (0.43) ARMRGPRX4TSHRESRRASLC22A12
SCHEMBL11338994 0.78 AR (0.34) AR
SCHEMBL16255446 0.77 MRGPRX4 (0.51) ARMRGPRX4TSHRKDM4EALDH1A1
SCHEMBL16939067 0.76 MCL1 (0.46) ARMRGPRX4KDM4EALDH1A1
SCHEMBL6946306 0.76 AR (0.47) ARMRGPRX4PGR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203235-A1 BLOCKED POLYISOCYANATE COMPOSITION, HEAT-CURABLE RESIN COMPOSITION, CURED PRODUCT, AND PRODUCTION METHOD THEREFOR KOEI CHEMICAL COMPANY, LIMITED (JP) 2023-06-29 US disclosed