SCHEMBL31430781

SCHEMBL31430781

COCOc1ccc(C)c(NC(=O)c2cc(OC(C)C)cnc2Cl)c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR3C1 P04150 2/20 0.37
▸ MAPT P10636 3/20 0.35
▸ BRAF P15056 1/20 0.35
▸ F10 P00742 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ CHRNA7 P36544 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ PDE4B Q07343 4/20 0.34
▸ PDE4A P27815 2/20 0.34
▸ PDE4C Q08493 2/20 0.34
▸ PDE4D Q08499 2/20 0.34
▸ KCNQ3 O43525 1/20 0.34
▸ KCNQ2 O43526 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) MAPTKDRCHRNA7PDE4BPDE4A
SCHEMBL31430868 0.81 PTGER4 (0.37) MAPTCHRNA7PDE4BPDE4APDE4C
SCHEMBL31430866 0.73 MAPT (0.46) MAPTCHRNA7CYP1A2CYP2C9CYP2C19
SCHEMBL31430857 0.70 ALDH1A1 (0.41) NR3C1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL31430800 0.67 ALDH1A1 (0.56) MAPTLMNAACACB
SCHEMBL31737736 0.66 PDE4D (0.44) MAPTCHRNA7PDE4BPDE4APDE4C
SCHEMBL4968769 0.65 NR3C1 (0.52) NR3C1MAPTLMNAHTTRECQL
SCHEMBL23846418 0.64 LMNA (0.48) MAPTLMNAHTTPOLB
SCHEMBL31430773 0.64 PDE4D (0.45) MAPTPDE4BPDE4APDE4CPDE4D
SCHEMBL31492232 0.63 RAB9A (0.34) MAPTKDRHTTPDE4B

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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