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SCHEMBL24670281

SCHEMBL24670281

Cc1cc(NC(=O)c2ccc(C3=CCN(C=NC(=O)OC(C)(C)C)CC3)c(F)c2)cc(F)c1C1=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 1/20 0.33
▸ PDK4 Q16654 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ CDK9 P50750 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ MAPT P10636 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
SCHEMBL29803672 0.94 NAMPT (0.35) NAMPTPDK4SCN9ACDK9TP53
SCHEMBL24670282 0.94 NAMPT (0.35) NAMPTPDK4SCN9ACDK9TP53
SCHEMBL24670872 0.94 NAMPT (0.35) NAMPTPDK4SCN9ACDK9TP53
SCHEMBL24670288 0.90 NAMPT (0.37) NAMPTPDK4SCN9ACDK9TP53
SCHEMBL24670858 0.90 NAMPT (0.37) NAMPTPDK4SCN9ACDK9TP53
SCHEMBL24670252 0.87 WDR5 (0.35) NAMPTPDK4SCN9ACDK9
SCHEMBL24670242 0.87 NPC1 (0.35) NAMPTPDK4CDK9POLB
SCHEMBL24670759 0.86 NAMPT (0.38) NAMPTPDK4SCN9ACDK9TP53
SCHEMBL24670758 0.86 NAMPT (0.38) NAMPTPDK4SCN9ACDK9TP53
SCHEMBL29803415 0.86 NAMPT (0.38) NAMPTPDK4SCN9ACDK9TP53

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-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 — — WO disclosed