SCHEMBL9587779

SCHEMBL9587779

CCOC(=O)c1cccc([N+](=O)[O-])c1N(Cc1ccc(-n2cc(CC)cc2C#N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.37
FNTB P49356 3/20 0.37
NPC1 O15118 1/20 0.35
CMA1 P23946 2/20 0.35
MAPT P10636 5/20 0.34
ALDH1A1 P00352 4/20 0.34
LMNA P02545 4/20 0.34
AR P10275 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GAA P10253 1/20 0.32
TP53 P04637 1/20 0.32
MAPK1 P28482 1/20 0.32
GNRHR P30968 1/20 0.31
MITF O75030 1/20 0.31
S1PR4 O95977 1/20 0.31
S1PR1 P21453 1/20 0.31
HTT P42858 2/20 0.31

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
SCHEMBL9587617 0.96 FNTA (0.36) FNTAFNTBNPC1CMA1MAPT
SCHEMBL9595235 0.94 FNTA (0.37) FNTAFNTBNPC1CMA1MAPT
SCHEMBL9587003 0.93 FNTA (0.40) FNTAFNTBNPC1CMA1MAPT
SCHEMBL9586921 0.87 FNTA (0.37) FNTAFNTBCMA1MAPTALDH1A1
SCHEMBL9587080 0.85 TP53 (0.35) FNTAFNTBCMA1ALDH1A1LMNA
SCHEMBL9587686 0.85 FNTA (0.39) FNTAFNTBNPC1MAPTALDH1A1
SCHEMBL9586521 0.85 FNTA (0.39) FNTAFNTBNPC1CMA1MAPT
SCHEMBL7480667 0.81 L3MBTL1 (0.47) MAPTALDH1A1LMNAARCRHBP
SCHEMBL9586936 0.80 FNTA (0.39) FNTAFNTBMAPTALDH1A1LMNA
SCHEMBL9605281 0.79 MMP1 (0.34) ALDH1A1MAPK1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993018030-A1 BENZIMIDAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-09-16 WO disclosed