SCHEMBL15433731

SCHEMBL15433731

COc1ccc2c(S(=O)(=O)c3ccccc3)cc(-c3ccoc3)nc2c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
ALPL P05186 3/20 0.40
TP53 P04637 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
HTR6 P50406 1/20 0.39
ALDH1A1 P00352 5/20 0.37
USP2 O75604 3/20 0.37
CYP1A2 P05177 3/20 0.37
CYP3A4 P08684 3/20 0.37
CYP2D6 P10635 3/20 0.37
TSHR P16473 3/20 0.37
CYP2C19 P33261 3/20 0.37
LMNA P02545 3/20 0.37
KMT2A Q03164 3/20 0.37
ALOX15 P16050 2/20 0.37
CLK4 Q9HAZ1 2/20 0.37
MEN1 O00255 2/20 0.37
MAPK1 P28482 2/20 0.36
PDGFRB P09619 1/20 0.35
HSD17B10 Q99714 3/20 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
SCHEMBL15428932 0.87 ADORA2A (0.36) BRD4TP53ALDH1A1USP2CYP1A2
SCHEMBL13074830 0.82 HTR6 (0.39) TP53RXFP1HTR6ALDH1A1CYP3A4
SCHEMBL7900338 0.81 HTR6 (0.38) TP53RXFP1HTR6ALDH1A1CYP3A4
SCHEMBL7906965 0.78 KDM4E (0.39) TP53RXFP1HTR6ALDH1A1CYP3A4
SCHEMBL7909715 0.78 HTR6 (0.39) TP53RXFP1HTR6ALDH1A1USP2
SCHEMBL7909713 0.78 HTR6 (0.37) TP53RXFP1HTR6ALDH1A1KMT2A
SCHEMBL288637 0.77 F2 (0.40) BRD4ALPLALDH1A1USP2CYP1A2
SCHEMBL13074827 0.77 HPGDS (0.44) TP53RXFP1HTR6KDM4EPKM
SCHEMBL7906969 0.77 KDM4E (0.42) TP53RXFP1HTR6ALDH1A1CYP1A2
SCHEMBL13074829 0.77 HTR6 (0.38) TP53RXFP1HTR6ALDH1A1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427434-B1 PROCESS FOR PREPARING BROMO-SUBSTITUTED QUINOLINES BOEHRINGER INGELHEIM INT (DE) 2017-05-31 EP disclosed
US-8633320-B2 Process for preparing bromo-substituted quinolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-21 US disclosed