SCHEMBL9523762

SCHEMBL9523762

COC(=O)c1cccc(CC#N)c1SCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 6/20 0.49
TDP1 Q9NUW8 2/20 0.49
KDM4E B2RXH2 6/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.40
POLB P06746 3/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
ATM Q13315 1/20 0.38
MEN1 O00255 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
CASP6 P55212 1/20 0.38
PTPN11 Q06124 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38

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
SCHEMBL9524388 0.81 L3MBTL1 (0.52) L3MBTL1PKMALDH1A1TDP1KDM4E
SCHEMBL8832101 0.81 KDM4E (0.58) L3MBTL1PKMALDH1A1TDP1KDM4E
SCHEMBL8822600 0.79 L3MBTL1 (0.58) L3MBTL1PKMALDH1A1TDP1KDM4E
SCHEMBL2427784 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AHSD17B10LMNA
SCHEMBL29548152 0.78 ALDH1A1 (0.57) ALDH1A1KDM4EKMT2AHSD17B10LMNA
SCHEMBL543449 0.78 L3MBTL1 (0.56) L3MBTL1PKMALDH1A1TDP1KDM4E
SCHEMBL8831739 0.78 L3MBTL1 (0.53) L3MBTL1PKMALDH1A1TDP1KDM4E
SCHEMBL8628655 0.76 POLB (0.65) L3MBTL1PKMALDH1A1TDP1KDM4E
SCHEMBL9522884 0.75 L3MBTL1 (0.53) L3MBTL1PKMALDH1A1TDP1KDM4E
SCHEMBL543367 0.74 ALDH1A1 (0.54) L3MBTL1PKMALDH1A1TDP1KDM4E

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-0523067-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-01-20 EP disclosed
WO-1991015478-A1 CROP-SELECTIVE HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-17 WO disclosed