SCHEMBL24670294

SCHEMBL24670294

CC(C)(C)OC(=O)N1CC=C(c2ccc(C(=O)Nc3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)cc3)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.60
MAPT P10636 8/20 0.56
SMN1; SMN2 Q16637 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 2/20 0.54
USP2 O75604 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 3/20 0.52
CYP2C9 P11712 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
LMNA P02545 3/20 0.50
ESR2 Q92731 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48

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
SCHEMBL30182423 0.87 MAPT (0.69) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL29803251 0.87 MAPT (0.69) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24669994 0.87 NAMPT (0.54) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24670148 0.86 SMN1; SMN2 (0.50) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL11960760 0.85 KMT2A (0.71) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24669214 0.85 NAMPT (0.52) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24670887 0.85 NAMPT (0.52) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24892305 0.85 NAMPT (0.61) NAMPTPTPN2PTPN1PTPN6
SCHEMBL11889756 0.85 MAPT (0.68) NAMPTMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL24670304 0.85 NAMPT (0.51) NAMPTMAPTSMN1; SMN2TP53CYP2C9

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