SCHEMBL16618826

SCHEMBL16618826

Cc1cc2c(O)c([N+](=O)[O-])cnc2cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.41
GPR35 Q9HC97 4/20 0.40
ALDH1A1 P00352 3/20 0.40
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CTSB P07858 1/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.34
ERN1 O75460 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL29970861 0.94 CYP1A2 (0.41) CYP1A2GPR35ALDH1A1CA12CA1
SCHEMBL26131807 0.94 CYP1A2 (0.41) CYP1A2GPR35ALDH1A1CA12CA1
SCHEMBL16619269 0.85 CYP1A2 (0.42) CYP1A2GPR35ALDH1A1MAPTMEN1
SCHEMBL21136934 0.83 MAPT (0.41) GPR35ALDH1A1MAPTKDM4EMEN1
SCHEMBL21099305 0.83 MAPT (0.41) GPR35ALDH1A1CA12CA1CA2
SCHEMBL15973592 0.82 PDGFRB (0.40) MAPTKDM4EMEN1KMT2APOLB
SCHEMBL16470135 0.80 MAPT (0.41) CYP1A2GPR35ALDH1A1CA12CA1
SCHEMBL26131542 0.80 PDGFRB (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL29970057 0.80 PDGFRB (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL16618995 0.79 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2AGAA

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-2015049629-A1 IMIDAZOQUINOLINE COMPOUNDS AS BROMODOMAIN INHIBITORS Piramal Enterprises Limited (IN) 2015-04-09 WO disclosed