SCHEMBL7449702

SCHEMBL7449702

C[C@@H](O)CNc1ncc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP3 P42574 1/20 0.50
RAB9A P51151 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
GAA P10253 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
FGFR4 P22455 1/20 0.45
PKM P14618 1/20 0.45
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 1/20 0.44

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
SCHEMBL9952081 0.84 MAPT (0.54) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL18172316 0.82 MAPT (0.52) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL20061677 0.82 MAPT (0.52) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL14684637 0.81 MAPT (0.54) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL29431640 0.81 MAPT (0.54) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL7190772 0.81 ALDH1A1 (0.44) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL16564262 0.80 L3MBTL1 (0.53) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL31315323 0.79 FGFR4 (0.51) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL117981 0.79 FGFR4 (0.51) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4
SCHEMBL7184437 0.77 MAPT (0.45) MAPTSMN1; SMN2NPC1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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