SCHEMBL6544182

SCHEMBL6544182

CNc1cc(Oc2c(F)c(F)c(F)c(F)c2F)ccc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 3/20 0.42
HTT P42858 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
AKR1B10 O60218 1/20 0.39
AKR1B1 P15121 1/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
HCAR3 P49019 1/20 0.38
HSPB1 P04792 1/20 0.37

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
SCHEMBL13211382 0.86 MAPT (0.53) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL30167007 0.84 HSPB1 (0.53) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3488024 0.79 HSPB1 (0.59) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL487216 0.79 AKR1C3 (0.57) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL5341171 0.78 ALDH1A1 (0.50) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL31118326 0.78 ALDH1A1 (0.47) MAPTKMT2AALDH1A1HTTSMN1; SMN2
SCHEMBL31118409 0.78 GPR35 (0.49) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL31118246 0.78 ALDH1A1 (0.42) MAPTKMT2AALDH1A1POLBHTT
SCHEMBL9332431 0.77 KMT2A (0.45) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL31118353 0.77 TDP1 (0.60) MAPTKMT2AALDH1A1HPGDPOLB

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
EP-1022272-B1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS SANKYO CO (JP) 2004-05-26 EP disclosed
US-6432993-B1 BENZIMIDAZOLE OR IMIDAZO(4,5-B)PYRIDINE DERIVATES; IMMUNOMODULATORS; ALDOSE REDUCTASE AND LIPOXYGENASE INHIBITORS; DIABETES; PREVENTS LIPID PEROXIDATION; ANTILIPEMIC, HYPOTENSIVE AGENTS SANKYO COMPANY, LIMITED (JP) 2002-08-13 US disclosed
EP-1022272-A1 SUBSTITUTED FUSED HETEROCYCLIC COMPOUNDS Sankyo Company Limited (JP) 2000-07-26 EP disclosed