SCHEMBL7180271

SCHEMBL7180271

CC(=O)OCC(C)(C)Nc1ncc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
MAPK1 P28482 1/20 0.43
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
NPC1 O15118 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
FGFR4 P22455 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL22468531 0.84 ALDH1A1 (0.35) L3MBTL1MAPK1MAPTSMN1; SMN2GAA
SCHEMBL7184437 0.83 MAPT (0.45) L3MBTL1MAPK1MEN1KMT2AMAPT
SCHEMBL7183006 0.81 CFTR (0.45) L3MBTL1MAPK1MEN1KMT2ASMN1; SMN2
SCHEMBL7192206 0.80 KMT2A (0.52) MAPK1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7191686 0.79 L3MBTL1 (0.45) L3MBTL1MAPK1MEN1KMT2AMAPT
SCHEMBL16564262 0.74 L3MBTL1 (0.53) L3MBTL1MAPK1MEN1KMT2AMAPT
SCHEMBL22468521 0.74 L3MBTL1 (0.34) L3MBTL1MAPK1MEN1KMT2AMAPT
SCHEMBL117981 0.74 FGFR4 (0.51) L3MBTL1MAPK1MEN1KMT2AMAPT
SCHEMBL31315323 0.74 FGFR4 (0.51) L3MBTL1MAPK1MEN1KMT2AMAPT
SCHEMBL9952081 0.73 MAPT (0.54) L3MBTL1MAPK1MEN1KMT2AMAPT

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
US-6582351-B1 Benzimidazole heterocyclic compounds having pharmacological activities, and their use as a medicament for treatment or prevention of diseases mediated by cGMP-PDE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-06-24 US disclosed