SCHEMBL10489669

SCHEMBL10489669

C=CCc1cc(=O)[nH]c(=S)[nH]1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPO P22079 2/20 0.55
CYP2C19 P33261 2/20 0.55
TAS2R38 P59533 2/20 0.55
MPO P05164 2/20 0.55
TPO P07202 1/20 0.55
TSHR P16473 1/20 0.55
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.50
KMT2A Q03164 1/20 0.50
CYB5R3 P00387 3/20 0.46
ALDH1A1 P00352 3/20 0.46
CYP3A4 P08684 1/20 0.46
PTGS1 P23219 1/20 0.44
BAZ2B Q9UIF8 1/20 0.44
TP53 P04637 1/20 0.32

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
SCHEMBL11662039 0.80 GPR84 (0.46) TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL11121299 0.76 XDH (0.35) TSHRMAPTSMN1; SMN2KMT2AALDH1A1
SCHEMBL28714131 0.74 GPR84 (0.50)
SCHEMBL23160962 0.74 LPO (0.71) LPOCYP2C19TAS2R38MPOTPO
SCHEMBL8516381 0.71
SCHEMBL11741161 0.71 CYP2C19 (0.67) LPOCYP2C19TAS2R38MPOTPO
Propylthiouracil SCHEMBL5493716 0.71 LPO (1.00) LPOCYP2C19TAS2R38MPOTPO
Propylthiouracil SCHEMBL41239 0.71 LPO (1.00) LPOCYP2C19TAS2R38MPOTPO
SCHEMBL21328426 0.68 TSHR (0.53) LPOCYP2C19TAS2R38MPOTPO
SCHEMBL29955654 0.67 SMN1; SMN2 (0.50) LPOCYP2C19TAS2R38MPOTPO

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-20080160445-A1 Planographic printing plate material, and method of preparing planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 US disclosed
US-20080160445-A1 Planographic printing plate material, and method of preparing planographic printing plate employing the same KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2008-07-03 US disclosed
US-4857149-A SIZING COMPOUND CONTAINING BOTH HYDROPHILIC AND HYDROPHOBIC PO RTIONS; ALKOYL OR ALKENOYL HYDROZAMIC ACID WEYERHAEUSER COMPANY (US) 1989-08-15 US disclosed
WO-1988002047-A1 METHOD AND PRODUCTS FOR SIZING PAPER AND SIMILAR MATERIALS WEYERHAEUSER COMPANY (US) 1988-03-24 WO disclosed
US-3950339-A SUBSTITUTED-2-(PYRIMIDINYLTHIO)ACETAMIDOXIMES AND ACETONITRILES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-04-13 US disclosed