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SCHEMBL24671576

SCHEMBL24671576

COc1cc(C2=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)ccc1C(=O)Nc1ccc(C2=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 12/20 0.44
▸ ABCB1 P08183 2/20 0.40
▸ NPC1 O15118 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ MITF O75030 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ QDPR P09417 1/20 0.40
▸ ABCC1 P33527 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ EGFR P00533 1/20 0.36

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
SCHEMBL29803430 1.00 NAMPT (0.44) NAMPTABCB1NPC1RAB9AMITF
SCHEMBL24669665 0.86 NAMPT (0.48) NAMPTABCB1NPC1RAB9AMITF
SCHEMBL24669643 0.85 QDPR (0.45) NAMPTQDPRKDM4E
SCHEMBL24669270 0.84 NAMPT (0.44) NAMPT
SCHEMBL29803615 0.84 NAMPT (0.44) NAMPT
SCHEMBL24670527 0.84 NAMPT (0.44) NAMPT
SCHEMBL29803578 0.82 NAMPT (0.45) NAMPT
SCHEMBL24671433 0.82 NAMPT (0.45) NAMPT
SCHEMBL29803383 0.82 APOBEC3A (0.41) NAMPTRAB9AQDPRKDM4EEGFR
SCHEMBL24670310 0.80 PDE4B (0.43) NAMPTABCB1NPC1RAB9AMITF

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