SCHEMBL3896153

SCHEMBL3896153

N#Cc1ccc(C(=O)NCCOc2cc(C#N)ccc2CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.46
F10 P00742 1/20 0.46
RAB9A P51151 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 4/20 0.44
MCHR1 Q99705 1/20 0.44
HSP90AA1 P07900 1/20 0.44
TRPA1 O75762 1/20 0.43
CDK1 P06493 1/20 0.43
EPHX2 P34913 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP3 P08254 1/20 0.43
GAA P10253 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
EGLN2 Q96KS0 1/20 0.41
MLYCD O95822 1/20 0.41

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
SCHEMBL3899503 0.84 NPC1 (0.53) RAB9AMEN1KMT2ANPC1MCHR1
SCHEMBL3900652 0.83 RAB9A (0.46) F10RAB9AMEN1KMT2ANPC1
SCHEMBL3897181 0.77 F10 (0.60) F10RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL27001729 0.76 CYP19A1 (0.41)
SCHEMBL7566194 0.76 NPC1 (0.75) F10RAB9AMEN1KMT2ANPC1
SCHEMBL3900535 0.74 NPC1 (0.43) RAB9ANPC1MCHR1HSP90AA1TRPA1
SCHEMBL3902858 0.73 RAB9A (0.58) F10RAB9AMEN1KMT2ANPC1
SCHEMBL5175835 0.72 EPHX2 (0.43) F10RAB9AKMT2AMCHR1TRPA1
SCHEMBL5536198 0.71 NAMPT (0.64) RAB9AMEN1KMT2ANPC1EPHX2
SCHEMBL5405545 0.70 TRPV4 (0.54) MEN1KMT2AHPGDSMN1; SMN2GAA

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