SCHEMBL7013434

SCHEMBL7013434

Cn1c(COc2ccc(/C=C3/SC(=O)NC3=O)cc2)nc2ccccc2c1=O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.62
PTPN1 P18031 3/20 0.62
POLB P06746 1/20 0.62
MAOA P21397 1/20 0.62
MAOB P27338 1/20 0.62
KDM4E B2RXH2 1/20 0.62
ALOX15 P16050 1/20 0.62
TSHR P16473 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
PPARG P37231 1/20 0.59
PTGS2 P35354 2/20 0.55
MMP3 P08254 1/20 0.53
MMP13 P45452 1/20 0.53
ALDH1A1 P00352 1/20 0.52
ALDH1A3 P47895 1/20 0.52
PIM1 P11309 1/20 0.52
PIM2 Q9P1W9 1/20 0.52

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
SCHEMBL5935568 1.00 HPGD (0.62) HPGDPTPN1POLBMAOAMAOB
SCHEMBL6357262 0.99 HPGD (0.61) HPGDPTPN1POLBMAOAMAOB
SCHEMBL6357256 0.99 HPGD (0.61) HPGDPTPN1POLBMAOAMAOB
SCHEMBL7010573 0.88 HPGD (0.60) HPGDPTPN1POLBMAOAMAOB
SCHEMBL5935589 0.88 HPGD (0.60) HPGDPTPN1POLBMAOAMAOB
SCHEMBL7009434 0.86 MEN1 (0.68) HPGDPTPN1PIM1PIM2
SCHEMBL6355409 0.86 MEN1 (0.68) HPGDPTPN1PIM1PIM2
SCHEMBL7835282 0.84 HPGD (0.58) HPGDPTPN1POLBMAOAMAOB
SCHEMBL7835286 0.84 HPGD (0.58) HPGDPTPN1POLBMAOAMAOB
SCHEMBL5935718 0.84 HPGD (0.56) HPGDPTPN1POLBMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0958296-B1 HETEROCYCLIC COMPOUNDS PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE IN THE TREATMENT OF DIABETES AND RELATED DISEASES REDDYS LAB LTD DR (IN) 2003-07-30 EP claimed
US-6372750-B2 COMPOUNDS SUCH AS 5-(4-(2-(2,4-DIMETHYL-6-OXO-1,6-DIHYDRO-1-PYRIMIDINYL)ETHOXY)PHENYL METHYL)THIZOLIDINE-2,4-DIONE MADE BY CYCLIZATION, CHEMICAL REDUCTION, HYDROLYSIS, AZOLIDINEDIONE DERIVATIVES DR. REDDY'S RESEARCH FOUNDATION (IN) 2002-04-16 US claimed