SCHEMBL3900535

SCHEMBL3900535

CN(C)C(=O)c1ccc(C(=O)NCCOc2cc(C#N)ccc2I)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.43
CDK1 P06493 3/20 0.43
SIGMAR1 Q99720 2/20 0.43
TMEM97 Q5BJF2 1/20 0.43
RAB9A P51151 5/20 0.41
GAA P10253 1/20 0.41
MCHR1 Q99705 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TRPA1 O75762 1/20 0.40
HSP90AA1 P07900 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
GFER P55789 1/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CASP3 P42574 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
RECQL P46063 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
SCHEMBL3900652 0.90 RAB9A (0.46) NPC1CDK1SIGMAR1TMEM97RAB9A
SCHEMBL3906076 0.81 POLB (0.56) NPC1RAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL3899503 0.79 NPC1 (0.53) NPC1CDK1SIGMAR1TMEM97RAB9A
SCHEMBL3896082 0.79 MMP3 (0.44) NPC1RAB9AGAAMCHR1SMN1; SMN2
SCHEMBL3900423 0.78 F10 (0.43) CDK1SIGMAR1TMEM97
SCHEMBL4684512 0.76 CA12 (0.47)
SCHEMBL3900527 0.76 CDK1 (0.36) CDK1EGLN1ALDH1A1
SCHEMBL3896153 0.74 F2 (0.46) NPC1CDK1SIGMAR1TMEM97RAB9A
SCHEMBL3897950 0.73 GPR119 (0.56)
SCHEMBL6874766 0.73 CA12 (0.48) GAAMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed