SCHEMBL9150262

SCHEMBL9150262

NC(=S)NOC(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.66
POLB P06746 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 2/20 0.66
TSHR P16473 4/20 0.52
F2 P00734 1/20 0.50
LMNA P02545 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CYP3A4 P08684 1/20 0.46
PARP1 P09874 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PKM P14618 1/20 0.45
CASP3 P42574 1/20 0.45
SENP7 Q9BQF6 1/20 0.45

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
SCHEMBL6269137 0.83 ALDH1A1 (0.70) ALDH1A1POLBKMT2AMAPTTSHR
SCHEMBL4907232 0.83 ALDH1A1 (0.76) ALDH1A1POLBKMT2AMAPTTSHR
SCHEMBL9755599 0.82 CA12 (0.53) ALDH1A1POLBKMT2AMAPTTSHR
SCHEMBL158309 0.82 KMT2A (0.68) ALDH1A1POLBKMT2AMAPTTSHR
Hydrochloric Acid SCHEMBL27483793 0.80 KMT2A (0.66) ALDH1A1POLBKMT2AMAPTTSHR
SCHEMBL5809526 0.79 ALDH1A1 (1.00) ALDH1A1POLBKMT2AMAPTTSHR
SCHEMBL29102460 0.79 ALDH1A1 (0.70) ALDH1A1POLBKMT2AMAPTTSHR
Biphenyl SCHEMBL8014588 0.78 ALDH1A1 (0.63) ALDH1A1POLBKMT2AMAPTTSHR
SCHEMBL19976504 0.78 ALDH1A1 (0.53) ALDH1A1POLBKMT2AMAPTTSHR
Methyl Benzoate SCHEMBL28104779 0.78 TSHR (0.79) ALDH1A1POLBKMT2AMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384405-A Zinc reduction of nitrobenzoate to hydroxylamine then reduction with isothiocyanate OLIN CORPORATION (US) 1995-01-24 US claimed
EP-0606304-A4 N-HYDROXYQUINAZOLINONE AND 2-N-HYDROXYTHIOUREA BENZOATE COMPOUNDS AS BIOCIDES. OLIN CORP (US) 1994-11-09 EP claimed
EP-0606304-A1 N-HYDROXYQUINAZOLINONE AND 2-N-HYDROXYTHIOUREA BENZOATE COMPOUNDS AS BIOCIDES OLIN CORPORATION (US) 1994-07-20 EP claimed
US-5298249-A Uv stable fungicides OLIN CORPORATION (US) 1994-03-29 US claimed
WO-1993006830-A1 N-HYDROXYQUINAZOLINONE AND 2-N-HYDROXYTHIOUREA BENZOATE COMPOUNDS AS BIOCIDES OLIN CORPORATION (US) 1993-04-15 WO claimed
US-5384405-A Zinc reduction of nitrobenzoate to hydroxylamine then reduction with isothiocyanate OLIN CORPORATION (US) 1995-01-24 US disclosed
EP-0606304-A4 N-HYDROXYQUINAZOLINONE AND 2-N-HYDROXYTHIOUREA BENZOATE COMPOUNDS AS BIOCIDES. OLIN CORP (US) 1994-11-09 EP disclosed
EP-0606304-A1 N-HYDROXYQUINAZOLINONE AND 2-N-HYDROXYTHIOUREA BENZOATE COMPOUNDS AS BIOCIDES OLIN CORPORATION (US) 1994-07-20 EP disclosed
US-5298249-A Uv stable fungicides OLIN CORPORATION (US) 1994-03-29 US disclosed
US-5298249-A Uv stable fungicides OLIN CORPORATION (US) 1994-03-29 US disclosed
WO-1993006830-A1 N-HYDROXYQUINAZOLINONE AND 2-N-HYDROXYTHIOUREA BENZOATE COMPOUNDS AS BIOCIDES OLIN CORPORATION (US) 1993-04-15 WO disclosed