SCHEMBL8779736

SCHEMBL8779736

CN(C)c1ccccc1NC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.50
ALDH1A1 P00352 4/20 0.48
TSHR P16473 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.45
KDM1A O60341 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HPGD P15428 3/20 0.43
POLB P06746 1/20 0.43
MASP2 O00187 1/20 0.42
NAMPT P43490 1/20 0.42
RECQL P46063 1/20 0.41
KDM4E B2RXH2 1/20 0.40
FABP4 P15090 1/20 0.39
HTR6 P50406 1/20 0.39

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
SCHEMBL11741095 0.85 GPR35 (0.52) KCNQ2ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL2942491 0.84 KCNQ2 (0.50) KCNQ2ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL3648636 0.84 ALDH1A1 (0.57) KCNQ2ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL5604538 0.83 POLB (0.61) MAPTTP53GAANPC1RAB9A
SCHEMBL20057526 0.82 ALDH1A1 (0.49) KCNQ2ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL11775098 0.82 KCNQ2 (0.52) KCNQ2ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL29955273 0.82 KCNQ2 (0.56) KCNQ2ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL20324021 0.81 ALDH1A1 (0.68) KCNQ2ALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL10669191 0.79 ALDH1A1 (0.59) KCNQ2ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL29951744 0.79 CYP2C19 (0.56) KCNQ2SMN1; SMN2MAPTGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525197-B1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS SHIONOGI & CO (JP) 1997-08-27 EP disclosed
US-5319100-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
US-5319099-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
EP-0525197-A1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed