SCHEMBL1435582

SCHEMBL1435582

CC=CC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.55
MAPT P10636 10/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 4/20 0.52
GAA P10253 2/20 0.52
RECQL P46063 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
GFER P55789 1/20 0.47
POLB P06746 2/20 0.46
MAPK1 P28482 1/20 0.45
AR P10275 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
SCHEMBL1435550 0.83 CYP1B1 (0.57) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL1756267 0.81 MAPT (0.61) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL1435500 0.81 MAPT (0.47) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL27908151 0.80 ALDH1A1 (0.65) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL4099208 0.77 MAPT (0.60) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL1756326 0.76 RAB9A (0.63) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL1067495 0.76 MAPT (0.55) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL11491739 0.73 MAPT (0.67) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL4307134 0.73 MAPT (0.67) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL8685929 0.71 MAPT (0.69) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1

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-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP claimed
EP-1898908-B1 NOVEL CHEMICAL COMPOUNDS AND THE USES THEREOF AS A MEDICAMENT TROPHOS (FR) 2011-03-30 EP disclosed