SCHEMBL30182243

SCHEMBL30182243

CC(C)(C)OC(=O)NCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)c(F)c3)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.44
NAMPT P43490 3/20 0.42
WNT3A P56704 1/20 0.42
DGAT2 Q96PD7 1/20 0.41
PRKAA2 P54646 1/20 0.40
GRM5 P41594 2/20 0.39
GRM1 Q13255 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
CDK9 P50750 2/20 0.39
CCNT1 O60563 1/20 0.39
EED O75530 1/20 0.39
RBBP4 Q09028 1/20 0.39
SUZ12 Q15022 1/20 0.39
EZH2 Q15910 1/20 0.39
JAK1 P23458 1/20 0.39
HDAC1 Q13547 1/20 0.38

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
SCHEMBL24891663 1.00 KIT (0.44) KITNAMPTWNT3ADGAT2PRKAA2
SCHEMBL29803517 0.92 NAMPT (0.46) KITNAMPTWNT3ADGAT2GRM5
SCHEMBL24669292 0.90 NAMPT (0.47) KITNAMPTWNT3ADGAT2GRM5
SCHEMBL30182806 0.90 NAMPT (0.51) KITNAMPTWNT3ADGAT2PRKAA2
SCHEMBL24892312 0.90 NAMPT (0.51) KITNAMPTWNT3ADGAT2PRKAA2
SCHEMBL30182462 0.90 NAMPT (0.51) KITNAMPTWNT3ADGAT2PRKAA2
SCHEMBL24891657 0.90 NAMPT (0.51) KITNAMPTWNT3ADGAT2PRKAA2
SCHEMBL30182464 0.90 NAMPT (0.51) KITNAMPTWNT3ADGAT2PRKAA2
SCHEMBL24891692 0.85 PRKAA2 (0.37) KITNAMPTWNT3APRKAA2HDAC1
SCHEMBL24891715 0.85 NAMPT (0.45) KITNAMPTWNT3ADGAT2GRM5

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 WO disclosed