SCHEMBL9510380

SCHEMBL9510380

CCNc1cccc(NC(=O)CO)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
GAA P10253 2/20 0.40
LMNA P02545 3/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MAPK8 P45983 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 2/20 0.37
KDM4E B2RXH2 2/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
NLRP3 Q96P20 1/20 0.36
ALOX15 P16050 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 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
SCHEMBL9510397 0.89 CYP1A2 (0.46) TSHRGAALMNARAB9ACYP1A2
SCHEMBL9510680 0.85 GAA (0.42) TSHRGAALMNARAB9ACYP1A2
SCHEMBL9511695 0.85 GAA (0.60) TSHRGAALMNACYP2C19ALDH1A1
SCHEMBL9512455 0.83 KDM4E (0.52) TSHRGAALMNACYP1A2CYP2C19
SCHEMBL9510328 0.82 SMN1; SMN2 (0.53) TSHRGAARAB9AALDH1A1HSD17B10
SCHEMBL11737164 0.82 GPR35 (0.46) TSHRGAACYP1A2CYP2C19MAPK8
SCHEMBL9510636 0.81 GAA (0.44) GAAALDH1A1NLRP3L3MBTL1MEN1
SCHEMBL9510298 0.78 HSD17B10 (0.50) TSHRGAALMNACYP1A2ALDH1A1
SCHEMBL11631534 0.78 GAA (0.64) GAALMNARAB9AALDH1A1KDM4E
SCHEMBL10330186 0.73 TSHR (0.43) TSHRGAAALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 EP claimed
US-5041462-A Novel substituted acetamide compounds and use as anti-allergic agents TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-08-20 US claimed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 EP claimed
EP-0382216-B1 Novel substituted acetamide compounds TOYO BOSEKI (JP) 1993-10-20 EP disclosed
US-5041462-A Novel substituted acetamide compounds and use as anti-allergic agents TOYO BOSEKI KABUSHIKI KAISHA (JP) 1991-08-20 US disclosed
EP-0382216-A1 Novel substituted acetamide compounds Toyo Boseki Kabushiki Kaisha (JP) 1990-08-16 EP disclosed