SCHEMBL3911528

SCHEMBL3911528

CC(C)(C)OC(=O)NCc1ccc(C(=O)NCCOc2cccc(C#N)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
POLB P06746 2/20 0.50
CASP3 P42574 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
HDAC1 Q13547 2/20 0.48
F10 P00742 2/20 0.47
EPHX2 P34913 1/20 0.47
MAOB P27338 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
NAMPT P43490 1/20 0.46
RECQL P46063 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL3905707 0.87 CA12 (0.55) SMN1; SMN2GAA
SCHEMBL3900425 0.83 CA12 (0.56) SMN1; SMN2
SCHEMBL235486 0.83 CA12 (0.51) SMN1; SMN2GAA
SCHEMBL3897181 0.82 F10 (0.60) RAB9ANPC1SMN1; SMN2POLBCASP3
SCHEMBL7983921 0.82 EPHX2 (0.62) RAB9ANPC1SMN1; SMN2POLBHDAC1
Hydrochloric Acid SCHEMBL3898352 0.81 F10 (0.58) RAB9ANPC1SMN1; SMN2POLBCASP3
SCHEMBL3901290 0.81 POLB (0.59) RAB9ANPC1SMN1; SMN2POLBCASP3
SCHEMBL3899288 0.80 POLB (0.58) RAB9ANPC1SMN1; SMN2POLBCASP3
SCHEMBL3901407 0.80 NPC1 (0.60) RAB9ANPC1SMN1; SMN2POLBCASP3
SCHEMBL3898858 0.80 NPC1 (0.62) RAB9ANPC1SMN1; SMN2POLBCASP3

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