SCHEMBL7184437

SCHEMBL7184437

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
CYP3A4 P08684 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
FGFR4 P22455 1/20 0.45
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 4/20 0.42

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
SCHEMBL7180271 0.83 L3MBTL1 (0.43) MAPTMEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL22468511 0.82 ALDH1A1 (0.36) MAPTMEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL117981 0.79 FGFR4 (0.51) MAPTMEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL31315323 0.79 FGFR4 (0.51) MAPTMEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL9952081 0.79 MAPT (0.54) MAPTMEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL7190772 0.79 ALDH1A1 (0.44) MAPTMEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL7449702 0.77 MAPT (0.50) MAPTMEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL27162934 0.76 FGFR4 (0.51) MAPTMEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL7188544 0.76 MAPK1 (0.55) MAPTMEN1KMT2ACYP3A4SMN1; SMN2
SCHEMBL29431640 0.76 MAPT (0.54) MAPTMEN1KMT2ACYP3A4SMN1; SMN2

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 4 patents. 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
CN-1374952-A Benzimidazolone derivatives and their use as phosphodiesterase inhibibors FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-16 CN disclosed
EP-1196391-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-17 EP disclosed
WO-2001005770-A1 BENZIMIDAZOLONE DERIVATIVES AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-01-25 WO disclosed