SCHEMBL31430773

SCHEMBL31430773

COc1ccc(C)c(NC(=O)c2ccc(Cl)nc2Cl)c1C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 15/20 0.45
▸ PDE4A P27815 14/20 0.45
▸ PDE4B Q07343 14/20 0.45
▸ PDE4C Q08493 14/20 0.45
▸ KMT2A Q03164 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ CRHBP P24387 1/20 0.41
▸ CRHR2 Q13324 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ PDE11A Q9HCR9 1/20 0.40
▸ GFER P55789 1/20 0.40

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
SCHEMBL31737736 0.83 PDE4D (0.44) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL31430866 0.76 MAPT (0.46) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL31737724 0.76 PDE4D (0.42) PDE4DPDE4APDE4BPDE4CPDE11A
SCHEMBL31430780 0.74 POLB (0.40) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL15398335 0.73 PTGER4 (0.51) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL31430868 0.73 PTGER4 (0.37) PDE4DPDE4APDE4BPDE4CKMT2A
SCHEMBL5431429 0.69 ALDH1A1 (0.44) KMT2AL3MBTL1MEN1MAPTNFE2L2
SCHEMBL3058844 0.68 SLC6A12 (0.44) KMT2AMEN1MAPT
SCHEMBL29450481 0.68 TUBB4A (0.54) L3MBTL1MAPTALDH1A1
SCHEMBL424747 0.68 TUBB4A (0.54) L3MBTL1MAPTALDH1A1

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