SCHEMBL5386381

SCHEMBL5386381

O=C1NC(=O)C2c3ccccc3SC12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
TDP1 Q9NUW8 3/20 0.41
KDM4E B2RXH2 3/20 0.41
HPGD P15428 2/20 0.41
USP2 O75604 1/20 0.41
ESR1 P03372 1/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
PTPN7 P35236 1/20 0.41
RECQL P46063 1/20 0.41
ESR2 Q92731 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
CACNB4 O00305 3/20 0.37
CACNA1A O00555 3/20 0.37
CACNA1G O43497 3/20 0.37
CACNG3 O60359 3/20 0.37
CACNA1F O60840 3/20 0.37
CACNA1H O95180 3/20 0.37
CACNB3 P54284 3/20 0.37

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
SCHEMBL13335320 0.76 HPGD (0.37) HSD17B10TDP1KDM4EHPGDUSP2
SCHEMBL14101426 0.70 IDO1 (0.34) HSD17B10TDP1KDM4EHPGDUSP2
SCHEMBL5402145 0.67 GSK3B (0.44) POLBCACNB4CACNA1ACACNA1GCACNG3
SCHEMBL16291556 0.66 SLC6A3 (0.34) BRD4CREBBP
SCHEMBL5394004 0.65 CACNB4 (0.69) HSD17B10CACNB4CACNA1ACACNA1GCACNG3
SCHEMBL448896 0.64 BRD4 (0.34) HSD17B10TDP1KDM4EHPGDUSP2
SCHEMBL9899738 0.63 IDO1 (0.53) TDP1KDM4EALDH1A1MAPTGAA
SCHEMBL12328783 0.62 PRCP (0.36) HSD17B10TDP1KDM4EHPGDUSP2
SCHEMBL12474357 0.62 SMN1; SMN2 (0.52) HSD17B10TDP1KDM4EHPGDUSP2
SCHEMBL23066209 0.62

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP claimed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP claimed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO claimed
US-7192967-B1 Cyclic imide-substituted pyridylalkane, alkene, alkine carboxamides useful as cytostatic and immunosuppressive agents ASTELLAS PHARMA GMBH (DE) 2007-03-20 US disclosed
EP-1042315-B1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE CO CHEM PHARM FAB (DE) 2004-04-14 EP disclosed
EP-1042315-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE, AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS Klinge Pharma GmbH (DE) 2000-10-11 EP disclosed
WO-1999031087-A1 CYCLIC IMIDE-SUBSTITUTED PYRIDYLALKANE, ALKENE AND ALKINE CARBOXAMIDES USEFUL AS CYTOSTATIC AND IMMUNOSUPPRESSIVE AGENTS KLINGE PHARMA GMBH (DE) 1999-06-24 WO disclosed