SCHEMBL30006542

SCHEMBL30006542

Cc1cc(C#N)nc(N2CCN(S(=O)(=O)c3ccc(NC(=O)c4cc(CNCCCNC(=O)OC(C)(C)C)ccc4N(C)S(C)(=O)=O)cc3)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NAMPT P43490 5/20 0.38
POLB P06746 1/20 0.36
F13A1 P00488 1/20 0.33
TGM2 P21980 1/20 0.33
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 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
SCHEMBL30004870 0.93 ALDH1A1 (0.43) MERTKALDH1A1KMT2AMEN1NPSR1
SCHEMBL30006621 0.91 ALDH1A1 (0.41) MERTKALDH1A1KMT2AMEN1NPSR1
SCHEMBL30005776 0.90 ALDH1A1 (0.40) MERTKALDH1A1KMT2AMEN1NPSR1
Hydrochloric Acid SCHEMBL30005530 0.89 ALDH1A1 (0.43) MERTKALDH1A1KMT2AMEN1NPSR1
Hydrochloric Acid SCHEMBL30005778 0.89 ALDH1A1 (0.44) MERTKALDH1A1KMT2AMEN1NPSR1
Hydrochloric Acid SCHEMBL30005731 0.87 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30004782 0.86 ALDH1A1 (0.42) MERTKALDH1A1KMT2AMEN1NPSR1
SCHEMBL30005790 0.85 NAMPT (0.42) MERTKALDH1A1KMT2AMEN1NPSR1
Hydrochloric Acid SCHEMBL30006578 0.84 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1NPSR1NAMPT
SCHEMBL30005065 0.84 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1NPSR1NAMPT

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