SCHEMBL24671554

SCHEMBL24671554

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.34
WDR5 P61964 2/20 0.33
ABCB1 P08183 1/20 0.33
TRPV1 Q8NER1 2/20 0.32
NPC1 O15118 1/20 0.32
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32
TNF P01375 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
CPT1B Q92523 1/20 0.31
CHRNA7 P36544 2/20 0.31
KCNH2 Q12809 1/20 0.31
MAPT P10636 3/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30

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 0.93 WDR5 (0.36) NAMPTWDR5TRPV1NPC1CCNT1
SCHEMBL24671551 0.93 WDR5 (0.36) NAMPTWDR5TRPV1NPC1CCNT1
SCHEMBL24671259 0.92 NAMPT (0.38) NAMPTABCB1TRPV1NPC1
SCHEMBL24670937 0.92 NAMPT (0.34) NAMPTABCB1TRPV1NPC1CCNT1
SCHEMBL24670242 0.90 NPC1 (0.35) NAMPTABCB1TRPV1NPC1CCNT1
SCHEMBL24671510 0.89 NAMPT (0.41) NAMPTABCB1
SCHEMBL24670803 0.88 NAMPT (0.38) NAMPTABCB1MAPTALDH1A1SMN1; SMN2
SCHEMBL24670832 0.88 MAPT (0.37) NAMPTABCB1TRPV1NPC1MAPT
SCHEMBL24671182 0.86 NAMPT (0.38) NAMPTABCB1TRPV1NPC1CCNT1
SCHEMBL29803596 0.86 NAMPT (0.38) NAMPTABCB1TRPV1NPC1CCNT1

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