SCHEMBL9525449

SCHEMBL9525449

Cc1cc(N2CCCCC2)nn1CCCCCS(=O)(=O)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.48
ACAT1 P24752 1/20 0.47
PTGS1 P23219 2/20 0.42
PTGS2 P35354 2/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPY5R Q15761 5/20 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
SCHEMBL9202439 0.86 SOAT1 (0.63) SOAT1ACAT1PTGS1PTGS2ALDH1A1
SCHEMBL9524785 0.80 SOAT1 (0.74) SOAT1ACAT1
SCHEMBL9525341 0.79 SOAT1 (0.47) SOAT1ACAT1NPY5R
SCHEMBL9670092 0.71 HPGD (0.56) PTGS1PTGS2ALDH1A1HPGD
SCHEMBL9214087 0.69 PTGS1 (0.50) PTGS1PTGS2ALDH1A1HPGD
SCHEMBL9526283 0.66 SOAT1 (0.78) SOAT1ACAT1
SCHEMBL3379092 0.64 SOAT1 (1.00) SOAT1ACAT1
SCHEMBL9201449 0.64 SOAT1 (1.00) SOAT1ACAT1
Hydrochloric Acid SCHEMBL9212683 0.64 SOAT1 (0.98) SOAT1ACAT1
SCHEMBL9213110 0.63 SOAT1 (0.98) SOAT1ACAT1

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
WO-1993001184-A1 IMIDAZOLES INHIBITORS AS ACAT AND THROMBOXANE TXA2 RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO claimed
EP-0522887-A1 Imidazoles as ACAT- and thromboxane TxA2 inhibitors RHONE-POULENC RORER LIMITED (GB) 1993-01-13 EP claimed
WO-1993001184-A1 IMIDAZOLES INHIBITORS AS ACAT AND THROMBOXANE TXA2 RHONE-POULENC RORER LIMITED (GB) 1993-01-21 WO disclosed
EP-0522887-A1 Imidazoles as ACAT- and thromboxane TxA2 inhibitors RHONE-POULENC RORER LIMITED (GB) 1993-01-13 EP disclosed