SCHEMBL31430866

SCHEMBL31430866

COc1ccc(C)c(NC(=O)c2cc(Br)cnc2Cl)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ PDE4D Q08499 5/20 0.42
▸ CHRNA7 P36544 1/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ POLB P06746 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41

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 0.79 PDE4D (0.44) MAPTPDE4DCHRNA7MEN1KMT2A
SCHEMBL31430847 0.78 KDR (0.45) MAPTRXFP1PDE4DCHRNA7NPC1
SCHEMBL31430773 0.76 PDE4D (0.45) MAPTALDH1A1PDE4DGFERMEN1
SCHEMBL5743156 0.75 LMNA (0.42) MAPTRXFP1NPC1RAB9AMEN1
SCHEMBL31052554 0.74 LCK (0.41) MAPTPOLBMEN1KMT2A
SCHEMBL31430781 0.73 NR3C1 (0.37) MAPTCYP1A2CYP2C9CYP2C19PDE4D
SCHEMBL31430780 0.73 POLB (0.40) MAPTALDH1A1PDE4DCHRNA7POLB
SCHEMBL31737724 0.73 PDE4D (0.42) PDE4DCHRNA7GFERPDE4APDE4B
SCHEMBL31430868 0.72 PTGER4 (0.37) MAPTALDH1A1PDE4DCHRNA7NPC1
SCHEMBL17027175 0.70 LMNA (0.53) ALDH1A1SMN1; SMN2

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
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