SCHEMBL9764669

SCHEMBL9764669

N#CCc1ccccc1SCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MAOA P21397 2/20 0.47
MAOB P27338 2/20 0.47
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 4/20 0.40
L3MBTL1 Q9Y468 4/20 0.40
HPGD P15428 3/20 0.40
PTPRC P08575 1/20 0.39
EGFR P00533 2/20 0.39
CTSB P07858 2/20 0.38
MEN1 O00255 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPK1 P28482 1/20 0.38
S100A4 P26447 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL28250264 0.82 MAOB (0.41) POLBMAOAMAOBHSD17B10ALDH1A1
SCHEMBL10394742 0.82 MAOB (0.41) POLBMAOAMAOBHSD17B10ALDH1A1
SCHEMBL13525896 0.79 ALDH1A1 (0.41) KMT2AALDH1A1HPGDEGFRMEN1
SCHEMBL943161 0.78 APOBEC3G (0.52) POLBKMT2AALDH1A1HPGDEGFR
SCHEMBL4437147 0.78 ALDH1A1 (0.46) KMT2AALDH1A1HPGDMEN1MAPK1
SCHEMBL9507471 0.76 POLB (0.61) POLBMAOAMAOBHSD17B10KMT2A
Hydrochloric Acid SCHEMBL4556353 0.76 ALDH1A1 (0.44) POLBKMT2AALDH1A1HPGDMEN1
SCHEMBL4014797 0.76 MAOA (0.59) POLBMAOAMAOBHSD17B10KMT2A
SCHEMBL8590717 0.76 CHRNA7 (0.49) POLBMAOAMAOBKMT2AALDH1A1
SCHEMBL1902909 0.75 POLB (0.59) POLBMAOAMAOBHSD17B10KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4995901-A (Pre- or post-)emergence herbicide; plant growth regulator E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-02-26 US disclosed
EP-0386001-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-12 EP disclosed
US-4906282-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-03-06 US disclosed
WO-1989000991-A1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-09 WO disclosed
EP-0301784-A1 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-01 EP disclosed