SCHEMBL24670917

SCHEMBL24670917

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)N1CC=C(c2ccc(C(=O)Nc3ccc(OCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)cc3)cc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.42
CD274 Q9NZQ7 1/20 0.39
MCHR1 Q99705 2/20 0.38
MAPT P10636 4/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
USP2 O75604 1/20 0.37
HIF1A Q16665 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 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
SCHEMBL24669483 1.00 NAMPT (0.42) NAMPTCD274MCHR1MAPTALDH1A1
SCHEMBL24670225 0.89 NAMPT (0.43) NAMPTCD274
SCHEMBL29803349 0.89 NAMPT (0.43) NAMPTCD274
SCHEMBL24671335 0.88 MAPT (0.37) NAMPTMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL29803846 0.88 MAPT (0.37) NAMPTMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL30182331 0.88 NAMPT (0.44) NAMPTCD274MAPTSMN1; SMN2
SCHEMBL24669386 0.88 NAMPT (0.44) NAMPTCD274MAPTSMN1; SMN2
SCHEMBL24669388 0.88 NAMPT (0.44) NAMPTCD274MAPTSMN1; SMN2
SCHEMBL24892227 0.84 NAMPT (0.41) NAMPTCD274
SCHEMBL30182523 0.84 NAMPT (0.41) NAMPTCD274

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 2 patents. 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
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