SCHEMBL9588162

SCHEMBL9588162

CCOC(=O)c1cccc([N+](=O)[O-])c1N(Cc1ccc(-c2[nH]c(C)cc2CCC#N)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.36
FNTB P49356 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
MITF O75030 1/20 0.33
S1PR4 O95977 1/20 0.33
LMNA P02545 1/20 0.33
S1PR1 P21453 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GNRHR P30968 1/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPT P10636 3/20 0.31
GAA P10253 1/20 0.31
CACNA1D Q01668 1/20 0.31
TP53 P04637 1/20 0.31
PDE3B Q13370 2/20 0.31
PDE3A Q14432 2/20 0.31
KMT2A Q03164 2/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL9586918 0.92 KMT2A (0.33) FNTAFNTBLMNANR1H2NR1H3
SCHEMBL9586936 0.85 FNTA (0.39) FNTAFNTBSMN1; SMN2LMNAL3MBTL1
SCHEMBL9586519 0.81 FNTA (0.40) FNTAFNTBSMN1; SMN2MITFS1PR4
SCHEMBL9586285 0.81 FNTA (0.39) FNTAFNTBSMN1; SMN2L3MBTL1GNRHR
SCHEMBL9586917 0.81 FNTA (0.41) FNTAFNTBSMN1; SMN2LMNAL3MBTL1
SCHEMBL9587614 0.81 FNTA (0.40) FNTAFNTBSMN1; SMN2LMNAL3MBTL1
SCHEMBL9587465 0.81 ALDH1A1 (0.38) SMN1; SMN2MITFS1PR4LMNAS1PR1
SCHEMBL9587776 0.80 FNTA (0.41) FNTAFNTBSMN1; SMN2LMNAL3MBTL1
SCHEMBL9587683 0.80 FNTA (0.43) FNTAFNTBSMN1; SMN2LMNAL3MBTL1
SCHEMBL7480667 0.79 L3MBTL1 (0.47) SMN1; SMN2LMNAL3MBTL1ALDH1A1MAPT

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