SCHEMBL29803497

SCHEMBL29803497

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 11/20 0.37
TP53 P04637 1/20 0.32
ACKR3 P25106 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESRRG P62508 2/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL29803846 0.90 MAPT (0.37) NAMPTTP53ACKR3KDM4ELMNA
SCHEMBL24671335 0.90 MAPT (0.37) NAMPTTP53ACKR3KDM4ELMNA
SCHEMBL24671548 0.88 NAMPT (0.39) NAMPTTP53ACKR3RXFP1KDM4E
SCHEMBL24670539 0.88 NAMPT (0.32) NAMPTACKR3
SCHEMBL29803457 0.88 NAMPT (0.47) NAMPTRXFP1KDM4ELMNASMN1; SMN2
SCHEMBL24671055 0.84 NAMPT (0.45) NAMPTACKR3
SCHEMBL29803544 0.80 NAMPT (0.36) NAMPTESRRGMAPT
SCHEMBL29803333 0.80 TRPV1 (0.37) NAMPTLMNASMN1; SMN2MAPT
SCHEMBL29803749 0.80 IMPDH2 (0.37) NAMPTKDM4ELMNASMN1; SMN2
SCHEMBL24670448 0.79 NAMPT (0.40) NAMPT

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 1 patent. 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