SCHEMBL24629923

SCHEMBL24629923

Cc1ccc(S(=O)(=O)n2c(C#N)cc3cc(C)cc(S(=O)(=O)N(C)CC(=O)Nc4ccn(C)c(=O)c4)c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RXFP1 Q9HBX9 3/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.37
RORC P51449 1/20 0.37
GAA P10253 1/20 0.36
TP53 P04637 2/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL24629926 0.88 LMNA (0.42) LMNAMAPK1KMT2AKDM4EHSD17B10
SCHEMBL29769155 0.83 MAPK1 (0.45) LMNAMAPK1KMT2AKDM4EHSD17B10
SCHEMBL24629971 0.83 MAPK1 (0.45) LMNAMAPK1KMT2AKDM4EHSD17B10
SCHEMBL24629610 0.81 POLB (0.41) LMNAMAPK1KDM4EALDH1A1POLB
SCHEMBL29769136 0.81 POLB (0.41) LMNAMAPK1KDM4EALDH1A1POLB
SCHEMBL29769220 0.81 KMT2A (0.46) LMNAMAPK1KMT2AKDM4EHSD17B10
SCHEMBL24629608 0.81 KMT2A (0.46) LMNAMAPK1KMT2AKDM4EHSD17B10
SCHEMBL29769080 0.79 GFER (0.38) LMNAMAPK1KMT2AKDM4EHSD17B10
SCHEMBL24630132 0.79 GFER (0.38) LMNAMAPK1KMT2AKDM4EHSD17B10
SCHEMBL29769222 0.79 HCRTR1 (0.43) MAPK1KDM4ETP53

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