SCHEMBL24671356

SCHEMBL24671356

Cc1cc(C2=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)ccc1C(=O)Nc1ccc(C2=CCN(/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.40
WDR5 P61964 3/20 0.35
THRB P10828 1/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
SOS1 Q07889 1/20 0.33
WNT3A P56704 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
TP53 P04637 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
SCHEMBL24671289 1.00 NAMPT (0.40) NAMPTWDR5THRBPRMT5WDR77
SCHEMBL29803446 1.00 NAMPT (0.40) NAMPTWDR5THRBPRMT5WDR77
SCHEMBL24670952 0.94 NAMPT (0.41) NAMPTWDR5PRMT5WDR77MAPT
SCHEMBL24670949 0.94 NAMPT (0.41) NAMPTWDR5PRMT5WDR77MAPT
SCHEMBL29803599 0.93 NAMPT (0.41) NAMPTPRMT5WDR77MAPTTRPV1
SCHEMBL24670309 0.91 WDR5 (0.41) NAMPTWDR5TRPV1SOS1
SCHEMBL29803297 0.91 WDR5 (0.41) NAMPTWDR5TRPV1SOS1
SCHEMBL24670301 0.91 NAMPT (0.39) NAMPTWDR5PRMT5WDR77MAPT
SCHEMBL24670307 0.91 WDR5 (0.41) NAMPTWDR5TRPV1SOS1
SCHEMBL24671366 0.91 NAMPT (0.39) NAMPTTHRBMAPTLMNAHTT

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