SCHEMBL3900652

SCHEMBL3900652

N#Cc1ccc(C(=O)NCCOc2cc(C#N)ccc2I)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
NPC1 O15118 4/20 0.46
MCHR1 Q99705 1/20 0.45
TRPA1 O75762 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CDK1 P06493 1/20 0.45
EPHX2 P34913 1/20 0.44
MMP3 P08254 1/20 0.44
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NOS3 P29474 1/20 0.43
NOS1 P29475 1/20 0.43
NOS2 P35228 1/20 0.43
TMEM97 Q5BJF2 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
EGLN2 Q96KS0 1/20 0.43
HSP90AA1 P07900 1/20 0.43
CD274 Q9NZQ7 1/20 0.42

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
SCHEMBL3900535 0.90 NPC1 (0.43) RAB9ANPC1MCHR1TRPA1SMN1; SMN2
SCHEMBL3899503 0.86 NPC1 (0.53) RAB9ANPC1MCHR1TRPA1HPGD
SCHEMBL3896082 0.86 MMP3 (0.44) RAB9ANPC1MCHR1HPGDSMN1; SMN2
SCHEMBL3896153 0.83 F2 (0.46) RAB9ANPC1MCHR1TRPA1HPGD
SCHEMBL4684512 0.80 CA12 (0.47) MMP3EGLN2
SCHEMBL3897181 0.79 F10 (0.60) RAB9ANPC1HPGDSMN1; SMN2MMP3
SCHEMBL7566194 0.78 NPC1 (0.75) RAB9ANPC1HPGDSMN1; SMN2MMP3
SCHEMBL3897950 0.77 GPR119 (0.56) F10
SCHEMBL6874766 0.76 CA12 (0.48) MCHR1GAAMEN1KMT2A
SCHEMBL3902858 0.75 RAB9A (0.58) RAB9ANPC1MCHR1HPGDSMN1; 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