SCHEMBL30005790

SCHEMBL30005790

Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4cc(CNC(=O)OC(C)(C)C)ccc4N(C)S(C)(=O)=O)nc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.42
F13A1 P00488 1/20 0.37
TGM2 P21980 1/20 0.37
TGM1 P22735 1/20 0.37
KIF18A Q8NI77 7/20 0.35
KMT2A Q03164 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MERTK Q12866 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
SCHEMBL30006021 0.94 NAMPT (0.38) NAMPTF13A1TGM2TGM1KIF18A
SCHEMBL30004870 0.91 ALDH1A1 (0.43) NAMPTF13A1TGM2KMT2AALDH1A1
SCHEMBL30005005 0.91 NAMPT (0.36) NAMPTF13A1TGM2TGM1KIF18A
SCHEMBL30006040 0.88 ALDH1A1 (0.37) NAMPTKIF18AKMT2ARXFP1ALDH1A1
Hydrochloric Acid SCHEMBL30006508 0.88 NAMPT (0.35) NAMPTF13A1TGM2TGM1KIF18A
SCHEMBL30006621 0.87 ALDH1A1 (0.41) NAMPTKMT2AALDH1A1MEN1NPSR1
Hydrochloric Acid SCHEMBL30006638 0.87 NAMPT (0.35) NAMPTKIF18AKMT2ARXFP1ALDH1A1
Hydrochloric Acid SCHEMBL30005741 0.86 ALDH1A1 (0.34) NAMPTKIF18AKMT2ARXFP1ALDH1A1
SCHEMBL30005517 0.85 ALDH1A1 (0.35) KIF18AKMT2ARXFP1ALDH1A1MEN1
SCHEMBL30006778 0.84 ALDH1A1 (0.48) KIF18AKMT2ARXFP1ALDH1A1MEN1

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-2022220725-A1 LPXH INHIBITORS AS ANTI-INFECTIVE AGENTS ZAMARATSKI EDOUARD (SE) 2022-10-20 WO disclosed