SCHEMBL2284398

SCHEMBL2284398

O=c1cc[nH]c(=S)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
DBH P09172 1/20 0.53
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
APOBEC3G Q9HC16 1/20 0.46
GSK3B P49841 2/20 0.46
GSK3A P49840 1/20 0.46
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
ELANE P08246 1/20 0.46
CTSG P08311 1/20 0.46
CMA1 P23946 1/20 0.46
CTRC Q99895 1/20 0.46
KDM4E B2RXH2 3/20 0.45
HPGD P15428 3/20 0.45
CYP3A4 P08684 3/20 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
SCHEMBL5272693 0.84 ALDH1A1 (0.53) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
Ethylene SCHEMBL28028832 0.81 KDM4E (0.51) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL11532141 0.75 POLB (0.50) DBHPOLB
Benzaldehyde SCHEMBL5801520 0.74 ALDH1A1 (0.44) ALDH1A1KMT2AMEN1MAPTNPSR1
SCHEMBL5792155 0.74 MMP2 (0.34) ALDH1A1DBHKMT2AMEN1MAPT
SCHEMBL11580947 0.74 ALDH1A1 (0.36) ALDH1A1DBHKMT2AMEN1MAPT
SCHEMBL8656963 0.74 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL9420347 0.72 KMT2A (0.52) ALDH1A1KMT2AMEN1APOBEC3GKDM4E
SCHEMBL41241 0.71 KDM1A (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2APOBEC3G
SCHEMBL27672161 0.71 KDM1A (0.39) ALDH1A1KMT2AMEN1SMN1; SMN2APOBEC3G

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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9802937-B2 Substituted pyrazolo{4,3-D}pyrimidines as kinase inhibitors ORIGENIS GMBH (DE) 2017-10-31 US disclosed
US-9642809-B2 Controlled release pharmaceutical compositions for prolonged effect EGALET LTD. (GB) 2017-05-09 US disclosed
US-9587016-B2 Treatment method for lung remodeling diseases FIBROGEN, INC. (US) 2017-03-07 US disclosed
CN-106255414-A S benzylthiouracil compound and the method strengthening plant root growth 瓦伦特生物科学公司 2016-12-21 CN disclosed
CN-106255414-A S benzylthiouracil compound and the method strengthening plant root growth 瓦伦特生物科学公司 2016-12-21 CN disclosed
CN-106255414-A S benzylthiouracil compound and the method strengthening plant root growth 瓦伦特生物科学公司 2016-12-21 CN disclosed
US-9510593-B2 S-benzylthiouracil compounds and methods of enhancing plant root growth VALENT BIOSCIENCES CORPORATION (US) 2016-12-06 US disclosed
EP-3094181-A1 S-BENZYLTHIOURACIL COMPOUNDS AND METHODS OF ENHANCING PLANT ROOT GROWTH Valent Biosciences Corporation (US) 2016-11-23 EP disclosed
US-9499535-B2 Kinase inhibitors ORIGENIS GMBH (DE) 2016-11-22 US disclosed
EP-2699572-B1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2016-08-10 EP disclosed
WO-2008091167-A1 TOPICAL FORMULATION BOMAC RESEARCH LIMITED (NZ) 2008-07-31 WO disclosed
US-7335379-B2 Transdermal pharmaceutical formulation for minimizing skin residues ANTARES PHARMA IPL AG (CH) 2008-02-26 US disclosed
US-20060153905-A1 Transdermal pharmaceutical formulation for minimizing skin residues ANTARES PHARMA, INC. 2006-07-13 US disclosed
EP-1670433-A1 TRANSDERMAL PHARMACEUTICAL FORMULATION FOR MINIMIZING SKIN RESIDUES Antares Pharma IPL AG (CH) 2006-06-21 EP disclosed
WO-2005039531-A1 TRANSDERMAL PHARMACEUTICAL FORMULATION FOR MINIMIZING SKIN RESIDUES ANTARES PHARMA IPL AG (CH) 2005-05-06 WO disclosed
EP-1169310-A1 PROCESS FOR PREPARING MKC-442 Triangle Pharmaceuticals Inc. (US) 2002-01-09 EP disclosed
WO-2000061566-A1 PROCESS FOR PREPARING MKC-442 TRIANGLE PHARMACEUTICALS, INC. (US) 2000-10-19 WO disclosed
EP-0093653-B1 PROCESS FOR THE PREPARATION OF IODO-THYRONINES AND IODO-THYROACETIC ACIDS BY ELECTROCHEMICAL REDUCTION AT A CONTROLLED POTENTIAL SPIRAL Société à responsabilité limitée dite : (FR) 1985-07-10 EP disclosed
US-4490221-A Process for preparing iodothyronines and iodothyroacetic acids by electrochemical reduction at controlled potential SPIRAL SOCIETE A RESPONSABILITE LIMITEE DITE (FR) 1984-12-25 US disclosed
EP-0093653-A1 Process for the preparation of iodo-thyronines and iodo-thyroacetic acids by electrochemical reduction at a controlled potential SPIRAL Société à responsabilité limitée dite : (FR) 1983-11-09 EP disclosed