SCHEMBL31258641

SCHEMBL31258641

COc1ccc(CNc2cnnc3cc(-c4cc(Cl)ccc4-c4cc(C(F)(F)F)n(C5NCCO5)n4)ccc23)c(OC)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 6/20 0.32
CYP3A4 P08684 6/20 0.32
TSHR P16473 6/20 0.32
CYP2C19 P33261 6/20 0.32
CLK4 Q9HAZ1 4/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP2C9 P11712 3/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
CYP2D6 P10635 5/20 0.32
MAPK1 P28482 4/20 0.32
PDE9A O76083 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ACP1 P24666 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
FGFR3 P22607 1/20 0.31
KDR P35968 1/20 0.31
USP2 O75604 2/20 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
SCHEMBL31258637 0.89 CYP1A2 (0.34) CYP1A2CYP3A4TSHRCYP2C19CLK4
SCHEMBL30462815 0.88 PDE9A (0.36) CYP1A2CYP3A4TSHRCYP2C19CLK4
SCHEMBL25300319 0.88 PDE9A (0.36) CYP1A2CYP3A4TSHRCYP2C19CLK4
SCHEMBL31258707 0.84 CYP1A2 (0.35) CYP1A2CYP3A4TSHRCYP2C19CLK4
SCHEMBL31258700 0.82 CYP1A2 (0.35) CYP1A2CYP3A4TSHRCYP2C19CLK4
SCHEMBL31258648 0.81 CYP1A2 (0.34) CYP1A2CYP3A4TSHRCYP2C19CLK4
SCHEMBL31258657 0.79 CYP1A2 (0.36) CYP1A2CYP3A4TSHRCYP2C19CLK4
SCHEMBL30462817 0.78 PDE9A (0.35) CYP1A2CYP3A4TSHRCYP2C19CLK4
SCHEMBL25257429 0.78 PDE9A (0.35) CYP1A2CYP3A4TSHRCYP2C19CLK4
SCHEMBL24252980 0.77 CYP1A2 (0.41) CYP1A2CYP3A4TSHRCYP2C19CLK4

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-118715231-A Complement factor inhibitors and uses thereof 安尼艾克松股份有限公司 2024-09-27 CN disclosed