SCHEMBL3378259

SCHEMBL3378259

Cc1cc(C)n(CCCCC[S+]([O-])c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.63
ACAT1 P24752 1/20 0.63
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
HTT P42858 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL29972770 1.00 SOAT1 (0.63) SOAT1ACAT1KDM4ESMN1; SMN2HPGD
SCHEMBL9565792 1.00 SOAT1 (0.63) SOAT1ACAT1KDM4ESMN1; SMN2HPGD
SCHEMBL9597124 0.87 SOAT1 (0.48) SOAT1ACAT1
SCHEMBL9525341 0.86 SOAT1 (0.47) SOAT1ACAT1
SCHEMBL9201449 0.77 SOAT1 (1.00) SOAT1ACAT1
SCHEMBL3379092 0.77 SOAT1 (1.00) SOAT1ACAT1
Hydrochloric Acid SCHEMBL9212683 0.76 SOAT1 (0.98) SOAT1ACAT1
SCHEMBL9213110 0.76 SOAT1 (0.98) SOAT1ACAT1
SCHEMBL9202439 0.76 SOAT1 (0.63) SOAT1ACAT1KDM4ESMN1; SMN2HPGD
SCHEMBL7640471 0.75 KDM4E (0.36) SOAT1ACAT1KDM4ESMN1; SMN2HPGD

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003513909-A 2003-04-15 JP claimed
EP-1229907-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2002-08-14 EP claimed
WO-2001034127-A1 PREVENTION OF PLAQUE RUPTURE BY ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-05-17 WO claimed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP claimed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO claimed
EP-0773940-A1 PROCESS FOR SYNTHESIS OF SUBSTITUTED SULPHOXIDES Astra Aktiebolag (SE) 1997-05-21 EP claimed
WO-1996002535-A1 PROCESS FOR SYNTHESIS OF SUBSTITUTED SULPHOXIDES ASTRA AKTIEBOLAG (SE) 1996-02-01 WO claimed
WO-1993001183-A1 IMIDAZOLE DERIVATIVE AS ACAT INHIBITOR RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO claimed
EP-0523941-A1 Imidazoles as ACAT inhibitor RHONE-POULENC RORER LIMITED (GB) 1993-01-20 EP claimed
EP-0773940-B2 PROCESS FOR SYNTHESIS OF SUBSTITUTED SULPHOXIDES ASTRAZENECA AB (SE) 2010-11-17 EP disclosed
EP-0773940-B1 PROCESS FOR SYNTHESIS OF SUBSTITUTED SULPHOXIDES ASTRAZENECA AB (SE) 2003-06-04 EP disclosed
EP-1098662-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2001-05-16 EP disclosed
WO-2000004892-A2 COADMINISTRATION OF ACAT AND MMP INHIBITORS FOR THE TREATMENT OF ATHEROSCLEROTIC LESIONS WARNER-LAMBERT COMPANY (US) 2000-02-03 WO disclosed
US-5948789-A ASYMMETRIC OXIDATION OF A PRO-CHIRAL SULPHIDE TO THE SINGLE ENANTIOMERS OR AN ENANTIOMERICALLY ENRICHED FORM OF THE CORRESPONDING SULPHOXIDE. OPTICALLY PURE SUBSTITUTED 2-(2-PYRIDINYLMETHYL-SULPHINYL)-1H-BENZIMIDAZOLES. ASTRA AKTIEBOLAG (SE) 1999-09-07 US disclosed
WO-1993001183-A1 IMIDAZOLE DERIVATIVE AS ACAT INHIBITOR RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO disclosed
WO-1993001183-A1 IMIDAZOLE DERIVATIVE AS ACAT INHIBITOR RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO disclosed
EP-0523941-A1 Imidazoles as ACAT inhibitor RHONE-POULENC RORER LIMITED (GB) 1993-01-20 EP disclosed
EP-0523941-A1 Imidazoles as ACAT inhibitor RHONE-POULENC RORER LIMITED (GB) 1993-01-20 EP disclosed
EP-0510036-A1 2-SUBSTITUTED 4,5-DIPHENYL-IMIDAZOLES. RHONE POULENC RORER SA (FR) 1992-10-28 EP disclosed
WO-1991010662-A1 2-SUBSTITUTED 4,5-DIPHENYL-IMIDAZOLES RHONE-POULENC RORER S.A. (FR) 1991-07-25 WO disclosed