SCHEMBL9510256

SCHEMBL9510256

CNc1cccc(NC(=O)COC(C)=O)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.56
ALDH1A1 P00352 3/20 0.52
HSD17B10 Q99714 2/20 0.52
GAA P10253 1/20 0.47
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.41
POLB P06746 1/20 0.40
KDM4E B2RXH2 1/20 0.40
NLRP3 Q96P20 1/20 0.40

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
SCHEMBL9510386 0.94 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510328 0.87 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510315 0.86 GAA (0.63) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510325 0.85 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510267 0.84 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9512510 0.84 KDM4E (0.53) ALDH1A1HSD17B10GAAHPGDMAPT
SCHEMBL9510278 0.83 SMN1; SMN2 (0.49) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510627 0.82 ALDH1A1 (0.57) SMN1; SMN2ALDH1A1HSD17B10HPGDRAB9A
SCHEMBL9510680 0.81 GAA (0.42) SMN1; SMN2ALDH1A1HSD17B10GAAHPGD
SCHEMBL9510244 0.81 MEN1 (0.53) SMN1; SMN2ALDH1A1HSD17B10GAAMAPT

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