SCHEMBL24629610

SCHEMBL24629610

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
KEAP1 Q14145 4/20 0.38
NFE2L2 Q16236 4/20 0.38
VEGFA P15692 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
HCRTR2 O43614 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 1/20 0.35
RAB9A P51151 1/20 0.35
PPARA Q07869 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
SCHEMBL29769136 1.00 POLB (0.41) POLBHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL24629474 0.89 KDM4E (0.41) POLBHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL24629923 0.81 LMNA (0.40) POLBALDH1A1KDM4ERAB9ALMNA
SCHEMBL29769063 0.80 POLB (0.39) POLBHPGDALDH1A1KDM4EL3MBTL1
SCHEMBL29769155 0.80 MAPK1 (0.45) ALDH1A1KDM4EL3MBTL1RAB9ALMNA
SCHEMBL24629971 0.80 MAPK1 (0.45) ALDH1A1KDM4EL3MBTL1RAB9ALMNA
SCHEMBL29769220 0.80 KMT2A (0.46) ALDH1A1KDM4ERAB9ALMNAMAPK1
SCHEMBL24629608 0.80 KMT2A (0.46) ALDH1A1KDM4ERAB9ALMNAMAPK1
SCHEMBL27041691 0.79 RXFP1 (0.35) POLBALDH1A1KDM4ELMNA
SCHEMBL24629466 0.78 ALDH1A1 (0.36) POLBHPGDALDH1A1KDM4EL3MBTL1

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