SCHEMBL29769080

SCHEMBL29769080

Cc1ccc(S(=O)(=O)n2c(C#N)cc3cc(C)cc(S(=O)(=O)N(C)CC(=O)Nc4cc(=O)n5c(n4)CCCC5)c32)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 3/20 0.35
LMNA P02545 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
AGTR1 P30556 1/20 0.34
METTL3 Q86U44 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 2/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
TP53 P04637 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
SCHEMBL24630132 1.00 GFER (0.38) GFERRAB9AKMT2AMEN1MAPT
SCHEMBL24630125 0.80 MAPT (0.36) GFERRAB9AKMT2AMEN1MAPT
SCHEMBL29769206 0.80 MAPT (0.36) GFERRAB9AKMT2AMEN1MAPT
SCHEMBL24629923 0.79 LMNA (0.40) RAB9AKMT2ALMNAPOLBKDM4E
SCHEMBL29769136 0.77 POLB (0.41) RAB9ALMNAPOLBKDM4EMAPK1
SCHEMBL24629610 0.77 POLB (0.41) RAB9ALMNAPOLBKDM4EMAPK1
SCHEMBL29769155 0.76 MAPK1 (0.45) RAB9AKMT2ALMNAKDM4EHSD17B10
SCHEMBL24629971 0.76 MAPK1 (0.45) RAB9AKMT2ALMNAKDM4EHSD17B10
SCHEMBL24629608 0.75 KMT2A (0.46) RAB9AKMT2AMEN1LMNAKDM4E
SCHEMBL29769220 0.75 KMT2A (0.46) RAB9AKMT2AMEN1LMNAKDM4E

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