SCHEMBL31123781

SCHEMBL31123781

COc1ccc(CNc2nc3cc(Br)ccc3cc2F)c(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 15/20 0.49
CYP3A4 P08684 15/20 0.49
CYP2C19 P33261 15/20 0.49
CYP2D6 P10635 14/20 0.49
TSHR P16473 13/20 0.49
HSD17B10 Q99714 10/20 0.49
LMNA P02545 10/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP2C9 P11712 10/20 0.46
ALDH1A1 P00352 8/20 0.46
USP2 O75604 7/20 0.46
CLK4 Q9HAZ1 7/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
ALOX15 P16050 4/20 0.46
HIF1A Q16665 3/20 0.46
APLNR P35414 1/20 0.46
NPC1 O15118 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL21682074 1.00 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30908317 0.86 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30908321 0.85 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL21551236 0.79 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL31091853 0.78 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL21682003 0.78 CYP1A2 (0.47) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30380040 0.77 CYP1A2 (0.56) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL24493061 0.77 MAPT (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30578194 0.77 MAPT (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL27143212 0.76 CYP1A2 (0.52) CYP1A2CYP3A4CYP2C19CYP2D6TSHR

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
CN-112805006-B PRMT5 inhibitors 默沙东有限责任公司 2024-09-24 CN disclosed