SCHEMBL7182910

SCHEMBL7182910

CC(=O)OC[C@@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PKM P14618 1/20 0.56
MAPK1 P28482 3/20 0.56
HCAR3 P49019 2/20 0.53
KCNMA1 Q12791 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
AKR1B1 P15121 1/20 0.48
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48
AKR1C1 Q04828 1/20 0.48
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47

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
SCHEMBL7455626 0.83 MAPT (0.66) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL116464 0.82 MAPT (0.64) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL7449675 0.81 CFTR (0.46) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL7191686 0.80 L3MBTL1 (0.45) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL7190961 0.80 HCAR3 (0.53) MAPTALDH1A1KMT2APKMMAPK1
SCHEMBL7184178 0.80 HCAR3 (0.53) MAPTALDH1A1KMT2APKMMAPK1
SCHEMBL7358247 0.79 MAPT (0.61) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL7180262 0.79 MAPT (0.65) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL124856 0.79 MAPT (0.70) MAPTALDH1A1MEN1KMT2APKM
SCHEMBL115470 0.79 MAPT (0.70) MAPTALDH1A1MEN1KMT2APKM

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