SCHEMBL3901407

SCHEMBL3901407

N#Cc1cccc(OCCNC(=O)c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.60
RAB9A P51151 7/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HPGD P15428 1/20 0.60
F10 P00742 3/20 0.58
POLB P06746 2/20 0.57
CASP3 P42574 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
RECQL P46063 1/20 0.55
USP2 O75604 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
TP53 P04637 1/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 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 0.93 F10 (0.60) NPC1RAB9ASMN1; SMN2HPGDF10
SCHEMBL3898858 0.90 NPC1 (0.62) NPC1RAB9ASMN1; SMN2HPGDF10
SCHEMBL3910408 0.89 F10 (0.63) NPC1RAB9ASMN1; SMN2HPGDF10
SCHEMBL3901290 0.89 POLB (0.59) NPC1RAB9ASMN1; SMN2HPGDF10
SCHEMBL3901294 0.89 F10 (0.60) NPC1RAB9ASMN1; SMN2HPGDF10
SCHEMBL3902858 0.89 RAB9A (0.58) NPC1RAB9ASMN1; SMN2HPGDF10
SCHEMBL3899288 0.88 POLB (0.58) NPC1RAB9ASMN1; SMN2HPGDF10
Hydrochloric Acid SCHEMBL3898352 0.87 F10 (0.58) NPC1RAB9ASMN1; SMN2HPGDF10
SCHEMBL3911536 0.86 POLB (0.56) NPC1RAB9ASMN1; SMN2HPGDF10
SCHEMBL3906076 0.86 POLB (0.56) NPC1RAB9ASMN1; SMN2HPGDF10

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