SCHEMBL3897912

SCHEMBL3897912

N#Cc1ccc(C(=O)NCCSc2cccc(C#N)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.56
▸ NPC1 O15118 6/20 0.56
▸ SMN1; SMN2 Q16637 6/20 0.56
▸ RECQL P46063 1/20 0.56
▸ NFKB1 P19838 2/20 0.53
▸ NFKB2 Q00653 2/20 0.53
▸ RELA Q04206 2/20 0.53
▸ CASP3 P42574 1/20 0.53
▸ SENP8 Q96LD8 1/20 0.53
▸ SENP7 Q9BQF6 1/20 0.53
▸ SENP6 Q9GZR1 1/20 0.53
▸ ALDH1A1 P00352 4/20 0.50
▸ GAA P10253 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ GFER P55789 1/20 0.47
▸ HPGD P15428 2/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47

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
SCHEMBL3909803 0.89 F10 (0.52) RAB9ANPC1SMN1; SMN2RECQLNFKB1
SCHEMBL3897181 0.77 F10 (0.60) RAB9ANPC1SMN1; SMN2RECQLCASP3
SCHEMBL3902858 0.76 RAB9A (0.58) RAB9ANPC1SMN1; SMN2RECQLCASP3
SCHEMBL3900132 0.75 RAB9A (0.63) RAB9ANPC1SMN1; SMN2GAAGFER
SCHEMBL3912302 0.75 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2RECQLGAA
SCHEMBL5536198 0.74 NAMPT (0.64) RAB9ANPC1ALDH1A1SIGMAR1TMEM97
SCHEMBL5540070 0.74 NAMPT (0.73) SMN1; SMN2ALDH1A1GAANAMPTLMNA
SCHEMBL17780681 0.73 EPHX2 (0.49) RAB9ANPC1NFKB1GFERCYP1A2
SCHEMBL14132280 0.73 F10 (0.62) RAB9ANPC1SMN1; SMN2RECQLNFKB1
SCHEMBL5546309 0.73 NAMPT (0.67) RAB9ANPC1L3MBTL1SIGMAR1TMEM97

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
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