SCHEMBL3902858

SCHEMBL3902858

N#Cc1ccc(C(=O)NCCCOc2cccc(C#N)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
F10 P00742 2/20 0.56
POLB P06746 2/20 0.55
NPC1 O15118 4/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPT P10636 2/20 0.54
MCHR1 Q99705 1/20 0.53
NAMPT P43490 2/20 0.50
SMPD1 P17405 1/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
RECQL P46063 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
GAA P10253 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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 0.96 F10 (0.60) RAB9AF10POLBNPC1HPGD
SCHEMBL3900808 0.92 MCHR1 (0.60) RAB9AF10POLBNPC1HPGD
SCHEMBL3901407 0.89 NPC1 (0.60) RAB9AF10POLBNPC1HPGD
SCHEMBL3898858 0.88 NPC1 (0.62) RAB9AF10POLBNPC1HPGD
SCHEMBL3910408 0.88 F10 (0.63) RAB9AF10POLBNPC1HPGD
SCHEMBL3901294 0.88 F10 (0.60) RAB9AF10POLBNPC1HPGD
SCHEMBL3901290 0.88 POLB (0.59) RAB9AF10POLBNPC1HPGD
SCHEMBL3899288 0.87 POLB (0.58) RAB9AF10POLBNPC1HPGD
Hydrochloric Acid SCHEMBL3898352 0.86 F10 (0.58) RAB9AF10POLBNPC1HPGD
SCHEMBL7566194 0.85 NPC1 (0.75) RAB9AF10POLBNPC1HPGD

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