SCHEMBL24671055

SCHEMBL24671055

CC(C)(C)OC(=O)NCCSc1ccc(NC(=O)c2ccc(C3=CCN(C(=O)OC(C)(C)C)CC3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.45
ACKR3 P25106 1/20 0.38
PDK4 Q16654 1/20 0.38
KIT P10721 2/20 0.37
WNT3A P56704 1/20 0.37
GRM1 Q13255 7/20 0.36
GRM5 P41594 6/20 0.36
JAK1 P23458 1/20 0.36
GPR119 Q8TDV5 1/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL24669283 0.88 NAMPT (0.45) NAMPTACKR3PDK4KITWNT3A
SCHEMBL24670346 0.86 NAMPT (0.48) NAMPTACKR3PDK4KITWNT3A
SCHEMBL29803497 0.84 NAMPT (0.37) NAMPTACKR3
SCHEMBL24669280 0.83 NAMPT (0.62) NAMPTACKR3PDK4KITWNT3A
SCHEMBL24670539 0.80 NAMPT (0.32) NAMPTACKR3
SCHEMBL29803264 0.80 RXFP1 (0.34)
SCHEMBL24671539 0.80 NAMPT (0.44) NAMPTACKR3PDK4KITWNT3A
SCHEMBL24669980 0.79 RXFP1 (0.34) NAMPT
SCHEMBL5223668 0.78 NAMPT (0.49) NAMPTACKR3PDK4GRM1GRM5
SCHEMBL24671091 0.76 NAMPT (0.47) NAMPTPDK4KITGRM1GRM5

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