SCHEMBL8864941

SCHEMBL8864941

CCCC1(c2ccc(OC)cc2)CC1N=S(=O)=O.CNC(=S)NC=O

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ SLC6A3 Q01959 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC7 Q8WUI4 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ HDAC11 Q96DB2 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HDAC9 Q9UKV0 1/20 0.31
▸ HDAC5 Q9UQL6 1/20 0.31
▸ P2RX2 Q9UBL9 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
SCHEMBL8864569 0.74 HPGD (0.34) TDP1HPGDKDM4ELMNA
SCHEMBL8864541 0.73 HPGD (0.34) TDP1HPGDKDM4ELMNAHDAC3
SCHEMBL8865183 0.72 HPGD (0.36) TDP1HPGDKDM4ELMNAP2RX2
SCHEMBL8864253 0.68 SLC6A2 (0.32) SLC6A4
SCHEMBL8865073 0.68 SLC6A2 (0.32) SLC6A4
SCHEMBL8864951 0.67 SLC6A2 (0.33) SLC6A4
SCHEMBL8864560 0.66 MEN1 (0.34) TDP1SLC6A4LMNAP2RX2
SCHEMBL8865100 0.64 MAOB (0.34) LMNAP2RX2
SCHEMBL8864438 0.63 SLC6A2 (0.33) SLC6A4LMNA
SCHEMBL8864420 0.63 ALDH1A1 (0.32) HPGDKDM4ELMNAHDAC3HDAC4

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
US-5633239-A CARDIOVASCULAR DISORDERS; HYPOGLYCEMIC AGENTS HOECHST AKTIENGESELLSCHAFT (DE) 1997-05-27 — — US disclosed
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