SCHEMBL24629971

SCHEMBL24629971

COc1cc(NC(=O)CN(C)S(=O)(=O)c2cc(C)cc3cc(C#N)n(S(=O)(=O)c4ccc(C)cc4)c23)ccn1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.45
KMT2A Q03164 1/20 0.45
LMNA P02545 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 2/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
RXFP1 Q9HBX9 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL29769155 1.00 MAPK1 (0.45) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL24629608 0.90 KMT2A (0.46) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL29769220 0.90 KMT2A (0.46) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL24629923 0.83 LMNA (0.40) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL24629610 0.80 POLB (0.41) MAPK1LMNAKDM4EALDH1A1RAB9A
SCHEMBL29769136 0.80 POLB (0.41) MAPK1LMNAKDM4EALDH1A1RAB9A
SCHEMBL24629474 0.79 KDM4E (0.41) KMT2ALMNAKDM4EALDH1A1GAA
SCHEMBL29769146 0.78 MAPK1 (0.44) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL24629984 0.78 MAPK1 (0.44) MAPK1KMT2ALMNAKDM4EHSD17B10
SCHEMBL24630132 0.76 GFER (0.38) MAPK1KMT2ALMNAKDM4EHSD17B10

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-2022150574-A1 INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE CORNELL UNIVERSITY (US) 2022-07-14 WO disclosed