SCHEMBL9765801

SCHEMBL9765801

O=C1Nc2ccccc2SCC1c1cc(Cl)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.43
RECQL P46063 1/20 0.43
SLC8B1 Q6J4K2 1/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
NOX1 Q9Y5S8 1/20 0.41
ALDH1A1 P00352 4/20 0.39
CACNB4 O00305 1/20 0.39
CACNA1A O00555 1/20 0.39
CACNA1G O43497 1/20 0.39
CACNG3 O60359 1/20 0.39
CACNA1F O60840 1/20 0.39
CACNA1H O95180 1/20 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
SCHEMBL7287458 0.81 ALDH1A1 (0.42) MAPTTSHRTP53ALOX15RECQL
SCHEMBL7286888 0.73 ALDH1A1 (0.43) MAPTTSHRALDH1A1LMNAHTT
SCHEMBL8155584 0.71 IDO1 (0.62) TP53CYP2C19LMNAIDO1
SCHEMBL4800295 0.68 ALDH1A1 (0.49) MAPTTSHRTP53CYP1A2ALOX15
SCHEMBL4495147 0.68 ALDH1A1 (0.49) MAPTTSHRTP53CYP1A2ALOX15
SCHEMBL8802497 0.68 HSD17B10 (0.49) MAPTTSHRTP53CYP1A2ALOX15
SCHEMBL8905187 0.68 ALDH1A1 (0.49) MAPTTSHRTP53CYP1A2ALOX15
SCHEMBL8853352 0.68 ALDH1A1 (0.66) MAPTTSHRCYP1A2ALOX15RECQL
SCHEMBL3149958 0.68 AHR (0.39) MAPTTSHRTP53CYP1A2CYP2C9
SCHEMBL7287889 0.68 MAPT (0.47) MAPTTSHRTP53ALOX15RECQL

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-5063225-A Antiarrhythmia ROUSSEL UCLAF (FR) 1991-11-05 US disclosed