SCHEMBL24629951

SCHEMBL24629951

Cc1cc(C=N)c(N)c(S(=O)(=O)Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL24630441 0.78
SCHEMBL24629941 0.73
SCHEMBL20676095 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL23564956 0.71 KDM4E (0.41) KDM4EALDH1A1
SCHEMBL20125032 0.71 ALDH1A1 (0.37) KDM4EALDH1A1
SCHEMBL24630300 0.71 KDM4E (0.43) KDM4EALDH1A1
SCHEMBL24630135 0.71 KDM4E (0.43) KDM4EALDH1A1
SCHEMBL24630069 0.70 L3MBTL1 (0.32) KDM4EALDH1A1
SCHEMBL31737512 0.69 ALDH1A1 (0.44) KDM4EALDH1A1
SCHEMBL24629888 0.68 GAA (0.36) KDM4EALDH1A1

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