SCHEMBL31430868

SCHEMBL31430868

COCOc1ccc(C)c(NC(=O)c2cc(C)c(Cl)nc2Cl)c1C

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 4/20 0.37
▸ CLCN2 P51788 1/20 0.36
▸ GRM5 P41594 2/20 0.35
▸ CHRNA7 P36544 2/20 0.35
▸ PDE4D Q08499 5/20 0.35
▸ PDE4A P27815 4/20 0.35
▸ PDE4B Q07343 4/20 0.35
▸ PDE4C Q08493 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL31430847 0.86 KDR (0.45) CLCN2CHRNA7PDE4DPDE4APDE4B
SCHEMBL31430781 0.81 NR3C1 (0.37) CHRNA7PDE4DPDE4APDE4BPDE4C
SCHEMBL31737736 0.74 PDE4D (0.44) CHRNA7PDE4DPDE4APDE4BPDE4C
SCHEMBL31430773 0.73 PDE4D (0.45) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL31430866 0.72 MAPT (0.46) CHRNA7PDE4DPDE4APDE4BPDE4C
SCHEMBL31492232 0.68 RAB9A (0.34) CLCN2PDE4BALDH1A1L3MBTL1RAB9A
SCHEMBL30962633 0.67 NFKB1 (0.42) PDE4DPDE4APDE4BPDE4C
SCHEMBL7579745 0.66 SMN1; SMN2 (0.46) ALDH1A1L3MBTL1RAB9ANPC1MAPT
SCHEMBL31430780 0.65 POLB (0.40) CHRNA7PDE4DPDE4APDE4BPDE4C
SCHEMBL16742565 0.65 MRGPRX4 (0.44) CLCN2

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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