SCHEMBL30908321

SCHEMBL30908321

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 14/20 0.48
CYP3A4 P08684 14/20 0.48
CYP2C19 P33261 14/20 0.48
CYP2D6 P10635 13/20 0.48
TSHR P16473 12/20 0.48
HSD17B10 Q99714 8/20 0.48
LMNA P02545 7/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
CYP2C9 P11712 11/20 0.45
MEN1 O00255 6/20 0.45
KMT2A Q03164 6/20 0.45
ALOX15 P16050 5/20 0.45
USP2 O75604 5/20 0.45
NPC1 O15118 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
ALDH1A1 P00352 7/20 0.44
TP53 P04637 1/20 0.44
BLM P54132 1/20 0.44

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
SCHEMBL30908447 0.87 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30908322 0.87 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL31123781 0.85 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL21682074 0.85 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL15435347 0.78 APLNR (0.51) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30908144 0.77 CYP1A2 (0.48) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30908690 0.76 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL30908300 0.76 CYP1A2 (0.49) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL4925489 0.73 CYP1A2 (0.53) CYP1A2CYP3A4CYP2C19CYP2D6TSHR
SCHEMBL4923082 0.72 APLNR (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
WO-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed