SCHEMBL14744341

SCHEMBL14744341

COc1ccccc1-c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
SMN1; SMN2 Q16637 4/20 0.60
HPGD P15428 3/20 0.60
NPC1 O15118 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
RAB9A P51151 1/20 0.60
ALDH1A1 P00352 5/20 0.59
LMNA P02545 4/20 0.59
MAPK1 P28482 3/20 0.59
RORC P51449 1/20 0.52
KMT2A Q03164 2/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49

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
SCHEMBL14746593 0.82 HSD17B10 (0.45) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL10405791 0.80 HSD17B10 (0.72) MAPTCYP3A4ALDH1A1LMNAKMT2A
SCHEMBL14746480 0.80 HSD17B10 (0.53) MAPTCYP1A2CYP3A4ALDH1A1RORC
SCHEMBL8866265 0.79 HTT (0.50) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL512092 0.79 MAPT (0.67) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL29435299 0.79 MAPT (0.67) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL8866256 0.78 HTT (0.49) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL12114840 0.78 RORC (0.54) MAPTSMN1; SMN2RAB9AALDH1A1LMNA
SCHEMBL57125 0.77 HTT (0.68) MAPTSMN1; SMN2HPGDNPC1CYP1A2
SCHEMBL8866338 0.77 ALPL (0.53) MAPTSMN1; SMN2HPGDNPC1CYP1A2

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
WO-2013029338-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-03-07 WO disclosed