SCHEMBL3909803

SCHEMBL3909803

N#Cc1cccc(SCCNC(=O)c2ccc(C(=N)N)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 4/20 0.52
▸ RAB9A P51151 7/20 0.50
▸ NPC1 O15118 6/20 0.50
▸ SMN1; SMN2 Q16637 6/20 0.50
▸ RECQL P46063 1/20 0.50
▸ GAA P10253 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ NFKB1 P19838 2/20 0.48
▸ NFKB2 Q00653 2/20 0.48
▸ RELA Q04206 2/20 0.48
▸ CASP3 P42574 1/20 0.48
▸ SENP8 Q96LD8 1/20 0.48
▸ SENP7 Q9BQF6 1/20 0.48
▸ SENP6 Q9GZR1 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL3897912 0.89 RAB9A (0.56) RAB9ANPC1SMN1; SMN2RECQLGAA
SCHEMBL14132280 0.86 F10 (0.62) F10RAB9ANPC1SMN1; SMN2RECQL
Trifluoroacetic Acid SCHEMBL3896058 0.79 F10 (0.57) F10RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL15556445 0.70 EPHX2 (0.56) —
SCHEMBL3912302 0.70 SMN1; SMN2 (0.52) RAB9ANPC1SMN1; SMN2RECQLGAA
SCHEMBL3910408 0.70 F10 (0.63) F10RAB9ANPC1SMN1; SMN2RECQL
Hydrochloric Acid SCHEMBL15556063 0.70 KLKB1 (0.55) —
SCHEMBL9608570 0.69 PRSS1 (0.53) RECQLKMT2A
SCHEMBL5540070 0.69 NAMPT (0.73) SMN1; SMN2GAAALDH1A1NAMPTHDAC3
SCHEMBL17623594 0.69 HDAC3 (0.63) SMN1; SMN2GAAALDH1A1NAMPTHDAC3

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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