SCHEMBL24671562

SCHEMBL24671562

CC(C)(C)OC(=O)/N=C(/NC(=O)OC(C)(C)C)N1CC=C(c2ccc(C(=O)Nc3cc(F)c(C4=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC4)c(Cl)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 9/20 0.41
MAPT P10636 6/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 3/20 0.35
NPC1 O15118 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP3 P42574 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
CCR1 P32246 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL24670317 1.00 NAMPT (0.41) NAMPTMAPTLMNAHTTNPSR1
SCHEMBL24670975 0.86 NAMPT (0.39) NAMPTMAPTLMNAHTTNPSR1
SCHEMBL24671366 0.86 NAMPT (0.39) NAMPTMAPTLMNAHTTNPSR1
SCHEMBL24670288 0.86 NAMPT (0.37) NAMPTMAPTCDK9TP53
SCHEMBL24670858 0.86 NAMPT (0.37) NAMPTMAPTCDK9TP53
SCHEMBL24671373 0.85 NAMPT (0.53) NAMPTMAPTLMNAHTTNPSR1
SCHEMBL24669446 0.84 NAMPT (0.46) NAMPTMAPTALDH1A1NPC1HPGD
SCHEMBL24669451 0.84 NAMPT (0.46) NAMPTMAPTALDH1A1NPC1HPGD
SCHEMBL29803672 0.84 NAMPT (0.35) NAMPTMAPTLMNAHTTALDH1A1
SCHEMBL24670644 0.83 CHRM1 (0.38) NAMPTMAPTLMNAHTTALDH1A1

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