SCHEMBL25130656

SCHEMBL25130656

COc1ccc(CNc2cc(Cl)nnc2O)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.51
KDM4C Q9H3R0 2/20 0.51
CYP1A2 P05177 9/20 0.46
CYP3A4 P08684 9/20 0.46
CYP2D6 P10635 9/20 0.46
CYP2C19 P33261 9/20 0.46
TSHR P16473 8/20 0.46
CLK4 Q9HAZ1 6/20 0.46
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 3/20 0.46
CYP2C9 P11712 3/20 0.46
HSD17B10 Q99714 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HIF1A Q16665 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.45
GLA P06280 1/20 0.45
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL25131153 0.87 APLNR (0.54) APLNRKDM4CCYP1A2CYP3A4CYP2D6
SCHEMBL30205616 0.87 APLNR (0.54) APLNRKDM4CCYP1A2CYP3A4CYP2D6
SCHEMBL25131339 0.86 APLNR (0.52) APLNRKDM4CCYP1A2CYP3A4CYP2D6
SCHEMBL25131733 0.85 APLNR (0.51) APLNRKDM4CCYP1A2CYP3A4CYP2D6
SCHEMBL29284223 0.84 APLNR (0.50) APLNRKDM4CCYP1A2CYP3A4CYP2D6
SCHEMBL29552308 0.83 KDM4C (0.58) APLNRKDM4CCYP1A2CYP3A4CYP2D6
SCHEMBL29922728 0.83 KDM4C (0.53) APLNRKDM4CCYP1A2CYP3A4CYP2D6
SCHEMBL27007123 0.83 KDM4C (0.53) APLNRKDM4CCYP1A2CYP3A4CYP2D6
SCHEMBL25131014 0.83 APLNR (0.49) APLNRKDM4CCYP1A2CYP3A4CYP2D6
SCHEMBL30226787 0.83 APLNR (0.49) APLNRKDM4CCYP1A2CYP3A4CYP2D6

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-2023046698-A1 PYRIDAZINYL AMINO DERIVATIVES AS ALK5 INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2023-03-30 WO disclosed