SCHEMBL31430725

SCHEMBL31430725

Cc1cc(C(=O)Nc2c(C)ccc3c2cnn3C2CCCCO2)c(Cl)nc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.42
▸ RXRB P28702 1/20 0.42
▸ RXRG P48443 1/20 0.42
▸ CYP4F2 P78329 2/20 0.38
▸ CYP4A11 Q02928 2/20 0.38
▸ PDE4A P27815 4/20 0.37
▸ PDE4B Q07343 4/20 0.37
▸ PDE4C Q08493 4/20 0.37
▸ PDE4D Q08499 4/20 0.37
▸ MCL1 Q07820 1/20 0.36
▸ DGAT2 Q96PD7 1/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLQ O75417 1/20 0.35
▸ TP53 P04637 2/20 0.35
▸ ACKR3 P25106 1/20 0.34
▸ LMNA P02545 1/20 0.33
▸ ATR Q13535 2/20 0.33
▸ LCK P06239 1/20 0.33
▸ KRAS P01116 1/20 0.33

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
SCHEMBL31430803 0.89 RXRA (0.40) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31737727 0.88 RXRA (0.39) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL27227895 0.82 RXRA (0.47) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31106070 0.82 LCK (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31738052 0.81 RXRA (0.37) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31105893 0.78 LCK (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL25787278 0.77 CYP4F2 (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL30860912 0.76 RXRA (0.41) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31105912 0.74 MAPK14 (0.50) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20223120 0.74 TP53 (0.35) RXRARXRBRXRGCYP4F2CYP4A11

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-2025007784-A1 HETEROAROMATIC RING COMPOUND, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2025-01-09 — — WO disclosed
Send feedback