SCHEMBL24669451

SCHEMBL24669451

CC(C)(C)OC(=O)N=C(NC(=O)OC(C)(C)C)N1CC=C(c2ccc(NC(=O)c3ccc(C4=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c(F)c3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 19/20 0.46
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 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
SCHEMBL24669446 1.00 NAMPT (0.46) NAMPTNPC1ALDH1A1MAPTHPGD
SCHEMBL29803193 0.95 NAMPT (0.40) NAMPTNPC1MAPT
SCHEMBL24670758 0.92 NAMPT (0.38) NAMPTALDH1A1MAPTSMN1; SMN2
SCHEMBL29803415 0.92 NAMPT (0.38) NAMPTALDH1A1MAPTSMN1; SMN2
SCHEMBL24670759 0.92 NAMPT (0.38) NAMPTALDH1A1MAPTSMN1; SMN2
SCHEMBL29803474 0.92 NAMPT (0.39) NAMPTMAPT
SCHEMBL24670644 0.92 CHRM1 (0.38) NAMPTNPC1ALDH1A1MAPTRAB9A
SCHEMBL24671182 0.92 NAMPT (0.38) NAMPTNPC1MAPTRAB9ASMN1; SMN2
SCHEMBL24669385 0.92 NAMPT (0.41) NAMPTNPC1
SCHEMBL29803596 0.92 NAMPT (0.38) NAMPTNPC1MAPTRAB9ASMN1; SMN2

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