SCHEMBL27704569

SCHEMBL27704569

C=CC(c1ccc(-c2ccc(CN3CCOCC3)cc2)s1)S(=O)(=O)n1ccc(/C=C/C(=O)NO)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 2/20 0.43
▸ MAPK1 P28482 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ HDAC1 Q13547 10/20 0.42
▸ HDAC6 Q9UBN7 9/20 0.42
▸ HDAC8 Q9BY41 8/20 0.42
▸ HDAC3 O15379 7/20 0.42
▸ HDAC4 P56524 6/20 0.42
▸ HDAC7 Q8WUI4 6/20 0.42
▸ HDAC2 Q92769 6/20 0.42
▸ HDAC10 Q969S8 6/20 0.42
▸ HDAC11 Q96DB2 6/20 0.42
▸ HDAC9 Q9UKV0 6/20 0.42
▸ HDAC5 Q9UQL6 6/20 0.42
▸ ALDH1A1 P00352 5/20 0.42
▸ GAA P10253 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ NPC1 O15118 1/20 0.36
▸ CCNC P24863 2/20 0.36

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
SCHEMBL27725124 0.93 HDAC1 (0.40) RAB9AMAPK1LMNASMN1; SMN2HDAC1
SCHEMBL3149543 0.84 RAB9A (0.47) RAB9AMAPK1LMNASMN1; SMN2HDAC1
SCHEMBL3149530 0.84 RAB9A (0.47) RAB9AMAPK1LMNASMN1; SMN2HDAC1
SCHEMBL27704595 0.83 HDAC1 (0.58) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL27704601 0.77 HDAC1 (0.51) HDAC1HDAC6HDAC8HDAC3HDAC4
SCHEMBL296581 0.77 HDAC1 (0.63) RAB9AMAPK1LMNASMN1; SMN2HDAC1
SCHEMBL296582 0.77 HDAC1 (0.63) RAB9AMAPK1LMNASMN1; SMN2HDAC1
SCHEMBL27704570 0.77 HDAC1 (0.44) RAB9ALMNAHDAC1HDAC6HDAC8
SCHEMBL27725095 0.77 HDAC1 (0.44) RAB9ALMNAHDAC1HDAC6HDAC8
SCHEMBL3135026 0.76 CAPN1 (0.45) RAB9AMAPK1LMNASMN1; SMN2HDAC1

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-101137623-B N-sulphonylpyrroles and use thereof as histone deacetylase inhibitors NYCOMED GMBH 2013-03-27 — — CN claimed
CN-101137623-A N-sulphonylpyrroles and their use as histone deacetylase inhibitors NYCOMED GMBH (DE) 2008-03-05 — — CN claimed
CN-101137623-B N-sulphonylpyrroles and use thereof as histone deacetylase inhibitors NYCOMED GMBH 2013-03-27 — — CN disclosed
CN-101137623-A N-sulphonylpyrroles and their use as histone deacetylase inhibitors NYCOMED GMBH (DE) 2008-03-05 — — CN disclosed
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