SCHEMBL19683385

SCHEMBL19683385

Brc1cc2c(ccc3ccc4cc(Br)oc4c32)o1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 2/20 0.40
CSNK2A2 P19784 1/20 0.40
CSNK2B P67870 1/20 0.40
CSNK2A1 P68400 1/20 0.40
CSNK2A3 Q8NEV1 1/20 0.40
AHR P35869 3/20 0.34
GPR35 Q9HC97 1/20 0.32

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
SCHEMBL19683382 0.86 PIM1 (0.50) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL28519607 0.76 TDP1 (0.45) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL19683541 0.73 CSNK2A1 (0.34) CSNK2A1GPR35
SCHEMBL19683336 0.71 AHR (0.35) PIM1CSNK2A1AHR
SCHEMBL28685510 0.70 MAOA (0.36) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL19683526 0.70 MAOB (0.51)
SCHEMBL25410820 0.69 KDM4E (0.54)
SCHEMBL13561818 0.64 PIM1 (0.41) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL16426150 0.63 CYP2A6 (0.57) PIM1GPR35
SCHEMBL29883416 0.63 CYP2A6 (0.57) PIM1GPR35

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