SCHEMBL9539501

SCHEMBL9539501

COc1ccc(Cn2c([S+](C)[O-])nc(-c3ccccc3)c2-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 5/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KDM4E B2RXH2 6/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ LMNA P02545 5/20 0.47
▸ SMN1; SMN2 Q16637 5/20 0.47
▸ HTT P42858 4/20 0.47
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ MAPT P10636 5/20 0.46
▸ TP53 P04637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.45
▸ GAA P10253 3/20 0.43
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL9540607 0.85 GALR3 (0.44) NPSR1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL9540657 0.83 NPSR1 (0.43) NPSR1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL10987849 0.80 HTT (0.50) NPSR1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL9539522 0.78 NPSR1 (0.50) NPSR1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL9539516 0.76 SOAT1 (0.41) NPSR1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL9526288 0.71 F11 (0.36) NPSR1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL10997238 0.71 ALDH1A1 (0.52) NPSR1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL10992447 0.70 LMNA (0.51) NPSR1KMT2AMEN1CYP3A4CYP2D6
SCHEMBL10970187 0.69 KDM4E (0.48) NPSR1CYP2C9CYP2C19KDM4EALDH1A1
SCHEMBL10992481 0.68 HTT (0.52) NPSR1KMT2AMEN1CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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