SCHEMBL10731246

SCHEMBL10731246

CC(C)N(C(=O)c1ccc(NC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)nc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.45
▸ MAPT P10636 2/20 0.44
▸ HCAR3 P49019 7/20 0.40
▸ HDAC1 Q13547 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ MAPK1 P28482 1/20 0.37

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
SCHEMBL10729011 0.85 L3MBTL1 (0.50) PKMMAPTHCAR3HDAC1HDAC3
SCHEMBL10728346 0.82 BAZ2B (0.48) PKMMAPTHCAR3HDAC1HDAC3
SCHEMBL10726379 0.82 PKM (0.47) PKMMAPTHDAC1HDAC3HDAC4
SCHEMBL10716578 0.82 PKM (0.49) PKMMAPTHCAR3HDAC1HDAC3
SCHEMBL10727069 0.79 ALDH1A1 (0.52) PKMMAPTHCAR3KDM4EALDH1A1
SCHEMBL10726333 0.79 PKM (0.48) PKMMAPTHCAR3HDAC1HDAC3
SCHEMBL10725561 0.77 PKM (0.49) PKMMAPTKDM4EALDH1A1LMNA
SCHEMBL10725612 0.76 HCAR3 (0.46) PKMMAPTHCAR3KDM4ELMNA
SCHEMBL10726100 0.76 GRM5 (0.60) PKMMAPTKDM4EALDH1A1LMNA
SCHEMBL10726196 0.75 PKM (0.52) PKMMAPTALDH1A1LMNA

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
US-4647569-A Antiarthritic pyridylaminoethene disulfonyl compounds and use MAY & BAKER LIMITED (GB) 1987-03-03 — — US claimed
US-4647569-A Antiarthritic pyridylaminoethene disulfonyl compounds and use MAY & BAKER LIMITED (GB) 1987-03-03 — — US disclosed
Send feedback