SCHEMBL24671257

SCHEMBL24671257

COc1cc(NC(=O)c2ccc(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 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 8/20 0.39
QDPR P09417 1/20 0.36
ABCB1 P08183 1/20 0.35
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
TLR7 Q9NYK1 1/20 0.34
TRPV1 Q8NER1 2/20 0.33
MTTP P55157 2/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 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
SCHEMBL24670897 1.00 NAMPT (0.39) NAMPTQDPRABCB1CCNT1CDK9
SCHEMBL24671259 0.94 NAMPT (0.38) NAMPTQDPRABCB1TRPV1MTTP
SCHEMBL24670952 0.93 NAMPT (0.41) NAMPTCCNT1CDK9ALDH1A1PRMT5
SCHEMBL24670949 0.93 NAMPT (0.41) NAMPTCCNT1CDK9ALDH1A1PRMT5
SCHEMBL24670800 0.92 NAMPT (0.39) NAMPTQDPRABCB1PRMT5WDR77
SCHEMBL24670804 0.92 NAMPT (0.39) NAMPTQDPRABCB1PRMT5WDR77
SCHEMBL24671551 0.91 WDR5 (0.36) NAMPTCCNT1CDK9TRPV1ALDH1A1
SCHEMBL24670926 0.91 WDR5 (0.36) NAMPTCCNT1CDK9TRPV1ALDH1A1
SCHEMBL24669509 0.91 NAMPT (0.39) NAMPTCCNT1CDK9TRPV1ALDH1A1
SCHEMBL29803520 0.91 NAMPT (0.39) NAMPTCCNT1CDK9TRPV1ALDH1A1

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