SCHEMBL19683382

SCHEMBL19683382

Brc1cc2c(ccc3ccc4oc(Br)cc4c32)o1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 4/20 0.50
CSNK2A1 P68400 3/20 0.50
CSNK2A2 P19784 2/20 0.50
CSNK2B P67870 2/20 0.50
CSNK2A3 Q8NEV1 2/20 0.50
AHR P35869 3/20 0.33
CA12 O43570 2/20 0.31
CA9 Q16790 2/20 0.31
MCL1 Q07820 1/20 0.31
CA1 P00915 1/20 0.31
HNF4A P41235 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28519607 0.89 TDP1 (0.45) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL19683385 0.86 PIM1 (0.40) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL19683336 0.78 AHR (0.35) PIM1CSNK2A1AHRCA12CA9
SCHEMBL28685510 0.78 MAOA (0.36) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL25410820 0.77 KDM4E (0.54) CA12CA9CA1HNF4AKDM4E
SCHEMBL13561818 0.71 PIM1 (0.41) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL16632533 0.68 MAOA (0.37) AHRKDM4EGLAMAPTHPGD
SCHEMBL31692103 0.67
SCHEMBL10227267 0.67 PIM1 (0.52) PIM1CSNK2A1CSNK2A2CSNK2BCSNK2A3
SCHEMBL31326155 0.65 AHR (0.42) AHR

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-2017210072-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-07 WO disclosed