SCHEMBL24671551

SCHEMBL24671551

COc1cc(NC(=O)c2cc(F)c(C3=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)cc2F)ccc1C1=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.36
NAMPT P43490 3/20 0.35
CCNT1 O60563 5/20 0.35
CDK9 P50750 5/20 0.35
TRPV1 Q8NER1 2/20 0.34
MAPT P10636 2/20 0.33
CPT2 P23786 1/20 0.33
CPT1A P50416 1/20 0.33
CPT1B Q92523 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNA7 P36544 2/20 0.33
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 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
SCHEMBL24670926 1.00 WDR5 (0.36) WDR5NAMPTCCNT1CDK9TRPV1
SCHEMBL24671554 0.93 NAMPT (0.34) WDR5NAMPTCCNT1CDK9TRPV1
SCHEMBL24670897 0.91 NAMPT (0.39) NAMPTCCNT1CDK9TRPV1ALDH1A1
SCHEMBL24671257 0.91 NAMPT (0.39) NAMPTCCNT1CDK9TRPV1ALDH1A1
SCHEMBL29803596 0.91 NAMPT (0.38) NAMPTCCNT1CDK9TRPV1MAPT
SCHEMBL24671182 0.91 NAMPT (0.38) NAMPTCCNT1CDK9TRPV1MAPT
SCHEMBL24670703 0.90 TRPV1 (0.36) WDR5NAMPTCCNT1CDK9TRPV1
SCHEMBL24670707 0.90 TRPV1 (0.36) WDR5NAMPTCCNT1CDK9TRPV1
SCHEMBL24671542 0.89 CDK9 (0.36) NAMPTCCNT1CDK9TRPV1MAPT
SCHEMBL24670237 0.89 CDK9 (0.36) NAMPTCCNT1CDK9TRPV1MAPT

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