SCHEMBL9680093

SCHEMBL9680093

Oc1nc(S)nc2c(Cl)cc(Cl)cc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 3/20 0.37
ACHE P22303 3/20 0.37
GRIN1 Q05586 3/20 0.37
GRIN2A Q12879 3/20 0.37
ALDH1A1 P00352 5/20 0.37
TSHR P16473 3/20 0.37
HSD17B10 Q99714 3/20 0.37
CYP3A4 P08684 2/20 0.37
RECQL P46063 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
FABP4 P15090 2/20 0.34
FABP5 Q01469 2/20 0.34
FABP3 P05413 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
KDM4E B2RXH2 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31

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
SCHEMBL4745138 0.70 KMT2A (0.42) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL11386180 0.69 ALDH1A1 (0.40) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL11429100 0.66 ERN1 (0.43) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL26998821 0.66 BCHE (0.42) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL3665515 0.64 BCHE (0.41) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL24757261 0.63
SCHEMBL30760132 0.63
SCHEMBL7824925 0.63 AKR1C4 (0.49) ALDH1A1TSHRHSD17B10MEN1KMT2A
SCHEMBL10969359 0.63 CYP1A2 (0.43) BCHEACHEGRIN1GRIN2AALDH1A1
SCHEMBL22258791 0.63 IDO1 (0.33)

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
EP-0483426-A1 Thiol heterocyclic deodorant composition and method of deodorization THE PROCTER & GAMBLE COMPANY (US) 1992-05-06 EP claimed
EP-0483426-A1 Thiol heterocyclic deodorant composition and method of deodorization THE PROCTER & GAMBLE COMPANY (US) 1992-05-06 EP disclosed