SCHEMBL24671008

SCHEMBL24671008

CC(C)(C)OC(=O)/N=C(\NCc1ccc(NC(=O)c2nc(C3=CCN(/C(=N/C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)cs2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.37
NAMPT P43490 12/20 0.37
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ROCK2 O75116 1/20 0.34
KIT P10721 2/20 0.34
XBP1 P17861 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33

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
SCHEMBL24671010 0.96 WNT3A (0.37) WNT3ANAMPTHDAC1HDAC6MAPT
SCHEMBL24671038 0.90 WNT3A (0.33) WNT3ANAMPTROCK2KIT
SCHEMBL24669232 0.86 NAMPT (0.39) WNT3ANAMPTHDAC1HDAC6MAPT
SCHEMBL29803669 0.86 NAMPT (0.39) WNT3ANAMPTHDAC1HDAC6MAPT
SCHEMBL24671548 0.85 NAMPT (0.39) WNT3ANAMPTHDAC1HDAC6MAPT
SCHEMBL24669388 0.85 NAMPT (0.44) WNT3ANAMPTHDAC1HDAC6MAPT
SCHEMBL30182331 0.85 NAMPT (0.44) WNT3ANAMPTHDAC1HDAC6MAPT
SCHEMBL24669386 0.85 NAMPT (0.44) WNT3ANAMPTHDAC1HDAC6MAPT
SCHEMBL24670464 0.84 HDAC3 (0.40) WNT3ANAMPTHDAC1HDAC6MAPT
SCHEMBL24669894 0.84 HDAC3 (0.40) WNT3ANAMPTHDAC1HDAC6MAPT

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