SCHEMBL25924932

SCHEMBL25924932

CC1(C)CCB(c2cc(F)c3c(c2)ncn3C2CCC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
HCAR1 Q9BXC0 1/20 0.32
ABL1 P00519 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
CYP2C9 P11712 1/20 0.31
IDO1 P14902 1/20 0.31
KCNH2 Q12809 1/20 0.31
AURKA O14965 1/20 0.31
JAK2 O60674 1/20 0.31
PRKCA P17252 1/20 0.31
JAK1 P23458 1/20 0.31
KDR P35968 1/20 0.31
JAK3 P52333 1/20 0.31
HSD17B10 Q99714 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL17048230 0.77 AURKA (0.36) OPRM1OPRL1HCAR1ALDH1A1TP53
SCHEMBL25924927 0.72 PRPS1 (0.44) HCAR1ABL1ALDH1A1TP53CYP2C9
SCHEMBL25922292 0.71
SCHEMBL25924607 0.71
SCHEMBL14250388 0.70 EGFR (0.31)
SCHEMBL31051166 0.70 LMNA (0.40) HCAR1ABL1ALDH1A1IDO1AURKA
SCHEMBL25319216 0.68 CYP2C9 (0.32) CYP2C9IDO1KCNH2
SCHEMBL30506732 0.68 CYP2C9 (0.32) CYP2C9IDO1KCNH2
SCHEMBL25924914 0.68 CYP2C9 (0.32) CYP2C9IDO1KCNH2
SCHEMBL14250611 0.67 ROCK1 (0.30) CYP2C9IDO1KCNH2

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-2023141432-A2 APOL1 INHIBITORS AND METHODS OF USE MAZE THERAPEUTICS, INC. (US) 2023-07-27 WO disclosed