SCHEMBL16619027

SCHEMBL16619027

COC(=O)Cc1cc2c(O)ccnc2cc1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
KMT2A Q03164 2/20 0.40
PRNP P04156 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GLA P06280 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.37
EGFR P00533 2/20 0.37
MTNR1A P48039 4/20 0.37
MTNR1B P49286 4/20 0.37
GFER P55789 1/20 0.37
HSP90AB1 P08238 1/20 0.36
SLC22A12 Q96S37 1/20 0.34
MAP4K4 O95819 1/20 0.33
ROS1 P08922 1/20 0.33
PIM1 P11309 1/20 0.33
PHKG2 P15735 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL23147255 0.84 MET (0.41) POLBKMT2APRNPRXFP1EGFR
SCHEMBL16618701 0.78 CYP4F2 (0.42) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL16619308 0.73 PDGFRB (0.43) POLBKMT2AALDH1A1KDM4EGLA
SCHEMBL22122307 0.73 SLC22A12 (0.47) ALDH1A1KDM4EEGFRMTNR1AMTNR1B
SCHEMBL14756275 0.73 EGFR (0.45) EGFRKDR
SCHEMBL28816706 0.72 ALOX15 (0.36) GAAMTNR1AMTNR1B
SCHEMBL16619984 0.72 PDGFRB (0.44) POLBKMT2AALDH1A1GLAEGFR
SCHEMBL29491487 0.71 FERMT2 (0.48) POLBKMT2APRNPRXFP1ALDH1A1
SCHEMBL24010540 0.71 HTR1A (0.56) ALDH1A1KDM4EGLAHPGDGAA
SCHEMBL22800077 0.71 HSP90AB1 (0.43) ALDH1A1KDM4EGLAHPGDGAA

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