SCHEMBL14601432

SCHEMBL14601432

CCOC(=O)c1ccc(Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
MAPT P10636 5/20 0.57
NPC1 O15118 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CSNK2A1 P68400 2/20 0.56
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C19 P33261 1/20 0.55
GAA P10253 2/20 0.53
LMNA P02545 2/20 0.53
CFTR P13569 1/20 0.53
ALOX5 P09917 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
BRAF P15056 1/20 0.52
KDR P35968 1/20 0.52
VCP P55072 1/20 0.51

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
Bromide SCHEMBL5585456 0.99 MAPT (0.56) RAB9AMAPTNPC1KDM4ECSNK2A1
SCHEMBL12297959 0.84 CSNK2A1 (0.74) RAB9AMAPTNPC1CSNK2A1MEN1
SCHEMBL12297485 0.83 MAPT (0.55) RAB9AMAPTNPC1CSNK2A1MEN1
SCHEMBL21708012 0.83 GAA (0.66) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL12297489 0.82 ALOX5 (0.60) RAB9AMAPTNPC1KDM4ECSNK2A1
SCHEMBL12297488 0.82 MEN1 (0.60) RAB9AMAPTNPC1CSNK2A1MEN1
SCHEMBL4956917 0.82 CSNK2A1 (0.64) RAB9AMAPTNPC1CSNK2A1MEN1
SCHEMBL5464349 0.81 MAPT (0.73) RAB9AMAPTNPC1KDM4EMEN1
SCHEMBL10963704 0.81 RAB9A (0.70) RAB9AMAPTNPC1MEN1KMT2A
SCHEMBL12297972 0.80 ALOX5 (0.53) RAB9AMAPTNPC1KDM4ECSNK2A1

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
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed
US-7163952-B2 Azole compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2007-01-16 US disclosed