SCHEMBL24671366

SCHEMBL24671366

Cc1cc(C2=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)ccc1C(=O)Nc1cc(F)c(C2=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 12/20 0.39
SOS1 Q07889 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
CDK9 P50750 1/20 0.32
WNT3A P56704 1/20 0.32
CDK7 P50613 1/20 0.32

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
SCHEMBL24670975 1.00 NAMPT (0.39) NAMPTSOS1MAPTNPC1ALDH1A1
SCHEMBL29803446 0.91 NAMPT (0.40) NAMPTSOS1MAPTALDH1A1LMNA
SCHEMBL24671356 0.91 NAMPT (0.40) NAMPTSOS1MAPTALDH1A1LMNA
SCHEMBL24671289 0.91 NAMPT (0.40) NAMPTSOS1MAPTALDH1A1LMNA
SCHEMBL29803338 0.89 NAMPT (0.38) NAMPTMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29803536 0.87 NAMPT (0.40) NAMPTSOS1MAPTWNT3ACDK7
SCHEMBL24891728 0.87 NAMPT (0.46) NAMPTMAPTNPC1ALDH1A1RAB9A
SCHEMBL29803599 0.87 NAMPT (0.41) NAMPTMAPTALDH1A1WNT3A
SCHEMBL24671562 0.86 NAMPT (0.41) NAMPTMAPTNPC1ALDH1A1HPGD
SCHEMBL24670317 0.86 NAMPT (0.41) NAMPTMAPTNPC1ALDH1A1HPGD

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 2 patents. 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
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