SCHEMBL3711580

SCHEMBL3711580

Cc1ccc2cc(Br)cc(O)c2n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.53
CCR1 P32246 1/20 0.46
RAB9A P51151 1/20 0.46
CCR5 P51681 1/20 0.46
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
PRNP P04156 1/20 0.44
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NOD2 Q9HC29 1/20 0.44
KMT2A Q03164 3/20 0.43
OPRK1 P41145 1/20 0.43
NSD1 Q96L73 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 1/20 0.37
CTSB P07858 1/20 0.36
CTSH P09668 1/20 0.36
MEN1 O00255 2/20 0.36
CYP1A2 P05177 2/20 0.35

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
SCHEMBL7186476 0.80 NPSR1 (0.52) METAP2CCR1RAB9ACCR5HPGD
SCHEMBL3275027 0.80 METAP2 (0.57) METAP2CCR1RAB9ACCR5HPGD
SCHEMBL729647 0.78 METAP2 (0.55) METAP2CCR1RAB9ACCR5LMNA
SCHEMBL11624013 0.77 CCR1 (0.46) METAP2CCR1RAB9ACCR5HPGD
SCHEMBL2119502 0.77 CCR1 (0.46) METAP2CCR1RAB9ACCR5HPGD
SCHEMBL20515390 0.74 CCR1 (0.43) METAP2CCR1RAB9ACCR5HPGD
SCHEMBL16533303 0.73 METAP2 (0.49) METAP2CCR1RAB9ACCR5HPGD
SCHEMBL2877880 0.73 METAP2 (0.49) METAP2CCR1RAB9ACCR5LMNA
SCHEMBL29923566 0.73 RAB9A (0.42) CCR1RAB9ACCR5NPSR1KMT2A
SCHEMBL1617143 0.72 METAP2 (0.57) METAP2CCR1RAB9ACCR5HPGD

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-2010094643-A1 QUINOLINE DERIVATIVES AND THEIR USES FOR RHINITIS AND URTICARIA GLAXO GROUP LIMITED (GB) 2010-08-26 WO disclosed