SCHEMBL30931824

SCHEMBL30931824

CNCc1cc(Oc2ccc(C(N)CCN)nc2)cc(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ HTR2A P28223 7/20 0.32
▸ SLC6A4 P31645 7/20 0.32
▸ KCNH2 Q12809 7/20 0.32
▸ CD274 Q9NZQ7 1/20 0.30

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
SCHEMBL21551258 1.00 CARM1 (0.36) CARM1PRMT6HTR2ASLC6A4KCNH2
SCHEMBL21564351 0.80 CARM1 (0.35) CARM1PRMT6HTR2ASLC6A4KCNH2
SCHEMBL21550741 0.80 STK17A (0.34) CARM1PRMT6CD274
SCHEMBL29891106 0.80 STK17A (0.34) CARM1PRMT6CD274
SCHEMBL21551365 0.74 FURIN (0.41) —
SCHEMBL29928375 0.74 FURIN (0.41) —
SCHEMBL29928103 0.74 FURIN (0.39) KCNH2
SCHEMBL21550748 0.74 FURIN (0.39) KCNH2
SCHEMBL21553814 0.73 NTRK1 (0.38) HTR2A
SCHEMBL29928441 0.73 NTRK1 (0.38) HTR2A

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
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 — — CN disclosed
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