SCHEMBL9645557

SCHEMBL9645557

Oc1ccc(SCCCCl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
CA2 P00918 4/20 0.42
NR1H2 P55055 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KCNH2 Q12809 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
CYP19A1 P11511 4/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39

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
SCHEMBL10699634 0.89 LMNA (0.54) LMNACTDSP1CA2NR1H2HSP90AA1
SCHEMBL10698165 0.89 LMNA (0.54) LMNACTDSP1CA2NR1H2HSP90AA1
SCHEMBL5974403 0.86 NR1H2 (0.46) LMNACTDSP1CA2NR1H2HSP90AA1
SCHEMBL537146 0.86 LMNA (0.56) LMNACTDSP1CA2NR1H2HSP90AA1
SCHEMBL536376 0.86 LMNA (0.51) LMNACTDSP1CA2NR1H2HSP90AA1
SCHEMBL10407904 0.81 NR1H2 (0.55) LMNACTDSP1CA2NR1H2HSP90AA1
SCHEMBL10719354 0.81 HDAC3 (0.51) LMNACTDSP1HDAC3HDAC4HDAC1
SCHEMBL8364788 0.81 CA2 (0.59) LMNACTDSP1CA2NR1H2HSP90AA1
SCHEMBL3235087 0.80 CA2 (0.56) LMNACTDSP1CA2NR1H2HSP90AA1
SCHEMBL26192698 0.80 LMNA (0.47) LMNACTDSP1CA2NR1H2HSP90AA1

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
EP-0322389-B1 NOVEL ANTIARRHYTHMIC AGENTS II Aktiebolaget Hässle (SE) 1992-10-28 EP disclosed
US-5034411-A Cardiovascular disorders or antiarrhythmia agents AKTIEBOLAGET HASSLE (SE) 1991-07-23 US disclosed
WO-1989005795-A1 NOVEL ANTIARRHYTHMIC AGENTS II Aktiebolaget Hässle (SE) 1989-06-29 WO disclosed
EP-0322389-A2 Novel antiarrhythmic agents II Aktiebolaget Hässle (SE) 1989-06-28 EP disclosed