SCHEMBL5580041

SCHEMBL5580041

O=C(O)Cn1c(=S)sc2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 1/20 0.57
L3MBTL1 Q9Y468 3/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 3/20 0.51
APEX1 P27695 3/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
ALOX15 P16050 1/20 0.48
ALOX12 P18054 1/20 0.48
CASP1 P29466 1/20 0.48
CASP7 P55210 1/20 0.48
PTPN12 Q05209 1/20 0.48
GLA P06280 1/20 0.47
PKM P14618 1/20 0.45
AKR1B10 O60218 1/20 0.44

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
SCHEMBL11083564 0.89 HSD17B10 (0.51) ALDH1A1HPGDHSD17B10CYP1A2L3MBTL1
SCHEMBL11083559 0.85 ALDH1A1 (0.52) ALDH1A1HPGDHSD17B10CYP1A2L3MBTL1
SCHEMBL11082445 0.84 HTT (0.70) ALDH1A1HPGDHSD17B10CYP1A2L3MBTL1
SCHEMBL20118962 0.81 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10CYP1A2L3MBTL1
SCHEMBL10546592 0.81 L3MBTL1 (0.71) ALDH1A1HSD17B10L3MBTL1HTTKDM4E
SCHEMBL11088115 0.79 ALDH1A1 (0.58) ALDH1A1HPGDHSD17B10CYP1A2HTT
SCHEMBL8079249 0.79 ALDH1A1 (0.51) ALDH1A1HPGDHSD17B10CYP1A2L3MBTL1
SCHEMBL11079506 0.76 KDM4E (0.55) ALDH1A1HPGDHSD17B10CYP1A2L3MBTL1
SCHEMBL6547890 0.76 ALDH1A1 (0.49) ALDH1A1HPGDHSD17B10CYP1A2L3MBTL1
SCHEMBL11780045 0.76 L3MBTL1 (0.65) ALDH1A1HPGDHSD17B10CYP1A2L3MBTL1

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-7294642-B2 1,3-Diamino-2-hydroxypropane pro-drug derivatives ELAN PHARMACEUTICALS, INC. (US) 2007-11-13 US claimed
JP-56152470-A None JP disclosed
US-7348296-B2 Binders for use in the thermosensitive elements of substantially light-insensitive thermographic recording materials AGFA HEALTHCARE (BE) 2008-03-25 US disclosed
US-7348296-B2 Binders for use in the thermosensitive elements of substantially light-insensitive thermographic recording materials AGFA HEALTHCARE (BE) 2008-03-25 US disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4447618-A PLANT GROWTH REGULATOR FOR LEGUMES MONSANTO COMPANY (US) 1984-05-08 US disclosed
US-4422865-A HERBICIDES AND PLANT GROWTH REGULANTS MONSANTO COMPANY (US) 1983-12-27 US disclosed
US-4362547-A HERBICIDES; PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1982-12-07 US disclosed
JP-S56152470-A PRODUCTION OF 2-BENZOTHIAZOLINONE DERIVATIVE OTA SEIYAKU KK 1981-11-26 JP disclosed
US-4289886-A HERBICIDES, PLANT GROWTH REGULATORS MONSANTO COMPANY (US) 1981-09-15 US disclosed