SCHEMBL6774476

SCHEMBL6774476

Cc1ccc2c(c1)-c1ccc(Cl)c(C)c1CS2(=O)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.38
▸ THRB P10828 1/20 0.38
▸ PIK3CD O00329 4/20 0.38
▸ PIK3R2 O00459 4/20 0.38
▸ PIK3CA P42336 4/20 0.38
▸ PIK3CB P42338 4/20 0.38
▸ PIK3CG P48736 4/20 0.38
▸ PIK3R5 Q8WYR1 4/20 0.38
▸ PIK3R3 Q92569 4/20 0.38
▸ ALKBH3 Q96Q83 1/20 0.35
▸ CES1 P23141 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NFKBIA P25963 1/20 0.32
▸ RELA Q04206 1/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.32
▸ MAOA P21397 1/20 0.32
▸ MAOB P27338 1/20 0.32
▸ ELANE P08246 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CA1 P00915 1/20 0.31

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
SCHEMBL7054685 0.84 MAPT (0.38) LMNATHRBPIK3CDPIK3R2PIK3CA
SCHEMBL6775086 0.80 ACHE (0.39) THRBPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL6779321 0.79 PIK3CD (0.38) LMNATHRBPIK3CDPIK3R2PIK3CA
SCHEMBL12746154 0.71 VEGFA (0.40) LMNATHRBPIK3CDPIK3R2PIK3CA
SCHEMBL19602438 0.71 VEGFA (0.50) LMNAPIK3CDPIK3R2PIK3CAPIK3CB
SCHEMBL12746150 0.69 VEGFA (0.40) LMNATHRBALKBH3MAOAMAOB
SCHEMBL1610760 0.65 GPR3 (0.44) NFKBIARELASLC40A1MAOAMAOB
SCHEMBL8256013 0.64 CES1 (0.34) LMNACES1
SCHEMBL4403141 0.63 METAP1 (0.40) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL10164110 0.62 CES1 (0.39) CES1MAPT

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-6730697-B2 FOR USE AS ANTIARRYTHMIC MEDICAMENTS WITH A CARDIOPROTECTIVE COMPONENT FOR PROPHYLAXIS OF AN INFARCTION AND THERAPY OF INFARCTION, AND FOR TREATMENT OF ANGINA PECTORIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-05-04 — — US disclosed
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