SCHEMBL8965738

SCHEMBL8965738

O=Cc1cccc(O)c1SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.48
TRIM33 Q9UPN9 1/20 0.48
ERN1 O75460 1/20 0.46
DAO P14920 3/20 0.42
THRB P10828 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA12 O43570 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
MAPT P10636 2/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL8057946 0.81 LMNA (0.42) THRBTDP1MEN1LMNABLM
SCHEMBL26361934 0.81 CA12 (0.44) ERN1THRBTDP1MEN1LMNA
SCHEMBL30605883 0.81 CA12 (0.44) ERN1THRBTDP1MEN1LMNA
SCHEMBL3633752 0.77 POLB (0.47) TRIM24TRIM33ERN1DAOTHRB
SCHEMBL8965390 0.77 ERN1 (0.47) ERN1MEN1LMNAKMT2APOLB
SCHEMBL3181540 0.74 POLB (0.55) THRBTDP1MEN1LMNABLM
Phenylacetaldehyde SCHEMBL1656594 0.74 TRIM24 (0.69) TRIM24TRIM33ERN1THRBTDP1
Diphenylmethane SCHEMBL28072548 0.73 TRIM24 (0.75) TRIM24TRIM33ERN1THRBTDP1
Salicyladehyde SCHEMBL29118303 0.73 TRIM24 (0.67) TRIM24TRIM33ERN1THRBTDP1
SCHEMBL1579174 0.72 ALDH1A1 (0.43) MEN1LMNAKMT2ACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0530136-B1 Nematicidal agents CIBA GEIGY AG (CH) 1996-02-21 EP disclosed
US-5451595-A Benzoisothiazole ethers CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0530136-A2 Nematicidal agents CIBA-GEIGY AG (CH) 1993-03-03 EP disclosed