SCHEMBL3901290

SCHEMBL3901290

CNC(=O)c1ccc(C(=O)NCCOc2cccc(C#N)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
F10 P00742 2/20 0.57
NPC1 O15118 7/20 0.56
RAB9A P51151 6/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
HPGD P15428 1/20 0.56
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
RECQL P46063 1/20 0.54
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
PLK1 P53350 1/20 0.49

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
SCHEMBL3897181 0.91 F10 (0.60) POLBF10NPC1RAB9ASMN1; SMN2
SCHEMBL3899288 0.89 POLB (0.58) POLBF10NPC1RAB9ASMN1; SMN2
SCHEMBL3901407 0.89 NPC1 (0.60) POLBF10NPC1RAB9ASMN1; SMN2
SCHEMBL3898858 0.89 NPC1 (0.62) POLBF10NPC1RAB9ASMN1; SMN2
SCHEMBL3910408 0.88 F10 (0.63) POLBF10NPC1RAB9ASMN1; SMN2
SCHEMBL3901294 0.88 F10 (0.60) POLBF10NPC1RAB9ASMN1; SMN2
SCHEMBL3902858 0.88 RAB9A (0.58) POLBF10NPC1RAB9ASMN1; SMN2
SCHEMBL3911536 0.87 POLB (0.56) POLBF10NPC1RAB9ASMN1; SMN2
SCHEMBL3906076 0.87 POLB (0.56) POLBF10NPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL3898352 0.86 F10 (0.58) POLBF10NPC1RAB9ASMN1; SMN2

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