SCHEMBL9510315

SCHEMBL9510315

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

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
TSHR P16473 1/20 0.54
HSD17B10 Q99714 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 3/20 0.42
MAPT P10636 2/20 0.42
CYP2C19 P33261 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
IKBKB O14920 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 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
SCHEMBL9511695 0.86 GAA (0.60) GAATSHRHSD17B10KDM4EALDH1A1
SCHEMBL9512510 0.86 KDM4E (0.53) GAATSHRHSD17B10KDM4EALDH1A1
SCHEMBL9510256 0.86 SMN1; SMN2 (0.56) GAATSHRHSD17B10KDM4EALDH1A1
SCHEMBL9510627 0.84 ALDH1A1 (0.57) TSHRHSD17B10KDM4EALDH1A1LMNA
SCHEMBL9510680 0.84 GAA (0.42) GAATSHRHSD17B10KDM4EALDH1A1
SCHEMBL9510386 0.79 SMN1; SMN2 (0.61) GAATSHRHSD17B10ALDH1A1HPGD
SCHEMBL11635664 0.76 GPR35 (0.50) GAAKDM4EALDH1A1CYP2C19
SCHEMBL9510267 0.76 SMN1; SMN2 (0.54) GAATSHRHSD17B10ALDH1A1KMT2A
SCHEMBL11493819 0.75 GAA (0.65) GAAKDM4EALDH1A1LMNAKMT2A
SCHEMBL9510397 0.75 CYP1A2 (0.46) GAATSHRHSD17B10KDM4EALDH1A1

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