SCHEMBL16619217

SCHEMBL16619217

Cc1cc2c(N[C@H](C)c3ccccc3)c([N+](=O)[O-])cnc2cc1Br

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.39
PRKCQ Q04759 2/20 0.39
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTR6 P50406 1/20 0.38
EGFR P00533 2/20 0.38
PRKDC P78527 2/20 0.38
TNF P01375 2/20 0.38

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
SCHEMBL16619219 1.00 ALDH1A1 (0.49) ALDH1A1GAAHTTCRHBPCRHR2
SCHEMBL16619606 0.87 SOS1 (0.47) ALDH1A1GAAHTTCRHBPCRHR2
SCHEMBL16619605 0.87 SOS1 (0.47) ALDH1A1GAAHTTCRHBPCRHR2
SCHEMBL16619416 0.87 KDM4E (0.46) ALDH1A1GAAHTTCRHBPCRHR2
SCHEMBL16619418 0.87 KDM4E (0.46) ALDH1A1GAAHTTCRHBPCRHR2
SCHEMBL29181155 0.85 ALDH1A1 (0.46) ALDH1A1GAAHTTCRHBPCRHR2
SCHEMBL29181152 0.85 ALDH1A1 (0.46) ALDH1A1GAAHTTCRHBPCRHR2
SCHEMBL30837424 0.85 ALDH1A1 (0.46) ALDH1A1GAAHTTCRHBPCRHR2
SCHEMBL16618793 0.84 ALDH1A1 (0.40) ALDH1A1GAAHTTCRHBPCRHR2
SCHEMBL16618796 0.84 ALDH1A1 (0.40) ALDH1A1GAAHTTCRHBPCRHR2

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