SCHEMBL31258700

SCHEMBL31258700

COc1ccc(CNc2cnnc3cc(-c4cc(Cl)c(OC)cc4-c4ccn(C5NCCO5)n4)ccc23)c(OC)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 13/20 0.35
CYP3A4 P08684 13/20 0.35
CYP2C19 P33261 12/20 0.35
TSHR P16473 11/20 0.35
CYP2C9 P11712 9/20 0.35
ALDH1A1 P00352 9/20 0.35
CLK4 Q9HAZ1 8/20 0.35
HSD17B10 Q99714 6/20 0.35
LMNA P02545 6/20 0.35
CYP2D6 P10635 11/20 0.34
MAPK1 P28482 5/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ACP1 P24666 1/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
HIF1A Q16665 4/20 0.33
PDE9A O76083 3/20 0.33
USP2 O75604 4/20 0.32
ALOX15 P16050 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
SCHEMBL31258648 0.95 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL31258637 0.93 CYP1A2 (0.34) CYP1A2CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL31258657 0.89 CYP1A2 (0.36) CYP1A2CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL25299300 0.87 PDE9A (0.35) CYP1A2CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL30462730 0.87 PDE9A (0.35) CYP1A2CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL31258707 0.83 CYP1A2 (0.35) CYP1A2CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL30462758 0.82 PDE9A (0.34) CYP1A2CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL25260600 0.82 PDE9A (0.34) CYP1A2CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL31258641 0.82 CYP1A2 (0.32) CYP1A2CYP3A4CYP2C19TSHRCYP2C9
SCHEMBL25257429 0.80 PDE9A (0.35) CYP1A2CYP3A4CYP2C19TSHRCYP2C9

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