SCHEMBL27534005

SCHEMBL27534005

C=CC(c1c(Cl)cc(Cl)cc1Cl)S(=O)(=O)Nc1nc(OC(=O)CCC)cs1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ CTPS1 P17812 3/20 0.34
▸ HSD11B1 P28845 2/20 0.32
▸ CA2 P00918 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL27514260 0.92 HSD17B1 (0.37) KMT2AMEN1POLBCTPS1HSD11B1
SCHEMBL28744919 0.91 KMT2A (0.36) KMT2AMEN1POLBCTPS1CA2
SCHEMBL27513917 0.89 KMT2A (0.41) KMT2AMEN1POLBCTPS1MAPT
SCHEMBL27534045 0.89 KMT2A (0.36) KMT2AMEN1POLBCTPS1HSD11B1
SCHEMBL28744904 0.88 KMT2A (0.44) KMT2AMEN1POLBCTPS1CA2
SCHEMBL27512542 0.87 KMT2A (0.42) KMT2AMEN1POLBCTPS1CA2
SCHEMBL28742120 0.86 KMT2A (0.38) KMT2AMEN1POLBCTPS1CA2
SCHEMBL27534024 0.86 KMT2A (0.36) KMT2AMEN1POLBCA2GAA
SCHEMBL27534021 0.85 CTPS1 (0.41) KMT2AMEN1POLBCTPS1CA2
SCHEMBL27538347 0.85 ALDH1A1 (0.36) KMT2AMEN1POLBCTPS1HSD11B1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1249039-C Inhibitors of 11 beta-hydroxysteroid dehydrogenase type I BIOVITRUM AB (SE) 2006-04-05 — — CN claimed
CN-1438997-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type I BIOVITRUM AB (SE) 2003-08-27 — — CN claimed
CN-1249039-C Inhibitors of 11 beta-hydroxysteroid dehydrogenase type I BIOVITRUM AB (SE) 2006-04-05 — — CN disclosed
CN-1438997-A Inhibitors of 11-beta-hydroxy steroid dehydrogenase type I BIOVITRUM AB (SE) 2003-08-27 — — CN disclosed
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