SCHEMBL7180262

SCHEMBL7180262

CC(=O)OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.65
RAB9A P51151 3/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
NPC1 O15118 1/20 0.65
LMNA P02545 3/20 0.63
ALDH1A1 P00352 3/20 0.63
CYP1A2 P05177 1/20 0.63
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C9 P11712 1/20 0.63
CYP2C19 P33261 1/20 0.63
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
GAA P10253 3/20 0.61
THRB P10828 1/20 0.59
POLB P06746 1/20 0.58
PKM P14618 1/20 0.58
HTT P42858 3/20 0.57
STAT3 P40763 1/20 0.54
PTGER4 P35408 1/20 0.53

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
SCHEMBL8115811 0.85 MAPT (0.71) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL25056997 0.83 GAA (0.67) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL10799374 0.82 GAA (0.72) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL8609704 0.81 MAPT (0.62) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL27636062 0.81 KMT2A (0.42) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL116088 0.81 GAA (0.70) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL29392652 0.81 GAA (0.67) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL112411 0.81 GAA (0.67) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL7191668 0.80 PTGER4 (0.49) MAPTRAB9ASMN1; SMN2NPC1LMNA
SCHEMBL8612145 0.80 MAPT (0.63) MAPTRAB9ASMN1; SMN2NPC1LMNA

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 3 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
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