SCHEMBL9852391

SCHEMBL9852391

COCC1(C)COC(c2nc(-c3ccccc3)c(-c3ccccc3)n2Cc2ccccc2)OC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 15/20 0.42
CFTR P13569 1/20 0.36
ALDH1A1 P00352 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9698693 0.87 SOAT1 (0.49) SOAT1CFTR
SCHEMBL9700146 0.87 SOAT1 (0.43) SOAT1CFTRALDH1A1HPGD
SCHEMBL9698755 0.87 SOAT1 (0.43) SOAT1CFTRALDH1A1
SCHEMBL9700192 0.87 SOAT1 (0.43) SOAT1CFTRALDH1A1
SCHEMBL9700121 0.87 SOAT1 (0.43) SOAT1CFTRALDH1A1HPGD
SCHEMBL9697807 0.87 SOAT1 (0.43) SOAT1CFTRALDH1A1HPGD
SCHEMBL9700095 0.87 SOAT1 (0.43) SOAT1CFTRALDH1A1HPGD
SCHEMBL9697997 0.87 SOAT1 (0.43) SOAT1CFTRALDH1A1HPGD
SCHEMBL9737457 0.87 SOAT1 (0.48) SOAT1CFTRALDH1A1TP53HPGD
SCHEMBL9700090 0.83 SOAT1 (0.51) SOAT1CFTR

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
EP-0424195-A1 Imidazoles RHONE-POULENC SANTE (FR) 1991-04-24 EP disclosed