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
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