SCHEMBL7526250

SCHEMBL7526250

O=C(O)c1cccnc1C1CNCCN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
TDP1 Q9NUW8 1/20 0.44
PARP1 P09874 1/20 0.43
ALDH1A1 P00352 5/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
AGER Q15109 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAPRT Q6XQN6 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 1/20 0.38
DHODH Q02127 2/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MYC P01106 1/20 0.36

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
SCHEMBL6965262 0.84 MAP2K1 (0.43) KDM4ETDP1PARP1ALDH1A1L3MBTL1
SCHEMBL6963976 0.81 TSHR (0.47) KDM4EPARP1ALDH1A1L3MBTL1TSHR
SCHEMBL9286212 0.80 KDM4E (0.50) KDM4ETDP1ALDH1A1L3MBTL1CYP3A4
SCHEMBL7535268 0.80 PARP1 (0.36) PARP1L3MBTL1NPSR1LMNAKMT2A
SCHEMBL9183744 0.76 KDM4E (0.38) KDM4EPARP1ALDH1A1TSHRSMN1; SMN2
SCHEMBL11544045 0.76 CXCR4 (0.34) PARP1SMN1; SMN2
SCHEMBL15203701 0.76 PARP1 (0.44) KDM4EPARP1ALDH1A1MAPTALOX15
SCHEMBL30109175 0.76 PARP1 (0.44) KDM4EPARP1ALDH1A1MAPTALOX15
SCHEMBL6131954 0.76 CXCR4 (0.36) PARP1
SCHEMBL8415186 0.76 CXCR4 (0.36) PARP1SMN1; SMN2KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885886-B1 PYRIDINECARBOXAMIDE DERIVATIVES NISSHIN SEIFUN GROUP INC (JP) 2002-05-29 EP claimed
EP-0882716-B1 PYRIDINECARBOXAMIDE DERIVATIVES NISSHIN PHARMA INC (JP) 2002-04-10 EP claimed
US-6046201-A Pyridinecarboxamide derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-04-04 US claimed
US-5972943-A N-(NITRIC ACID,C14-18 ALKYL ESTER)-6-(1-(OPTIONALLY 4-SUBSTITUTED PIPERAZINYL)) PYRIDINE-3-CARBOXAMIDES; METHOD OF SYNTHESIS; ADMINISTERING TO TREAT CEREBRAL EDEMA; NO HYPOTENSIVE SIDE EFFECT NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-10-26 US claimed
EP-0885886-A1 NOVEL PYRIDINECARBOXAMIDE DERIVATIVES Nisshin Flour Milling Co., Ltd. (JP) 1998-12-23 EP claimed
EP-0882716-A1 PYRIDINECARBOXAMIDE DERIVATIVES Nisshin Flour Milling Co., Ltd. (JP) 1998-12-09 EP claimed
EP-0885886-B1 PYRIDINECARBOXAMIDE DERIVATIVES NISSHIN SEIFUN GROUP INC (JP) 2002-05-29 EP disclosed
EP-0882716-B1 PYRIDINECARBOXAMIDE DERIVATIVES NISSHIN PHARMA INC (JP) 2002-04-10 EP disclosed
US-6046201-A Pyridinecarboxamide derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 2000-04-04 US disclosed
US-5972943-A N-(NITRIC ACID,C14-18 ALKYL ESTER)-6-(1-(OPTIONALLY 4-SUBSTITUTED PIPERAZINYL)) PYRIDINE-3-CARBOXAMIDES; METHOD OF SYNTHESIS; ADMINISTERING TO TREAT CEREBRAL EDEMA; NO HYPOTENSIVE SIDE EFFECT NISSHIN FLOUR MILLING CO., LTD. (JP) 1999-10-26 US disclosed
EP-0885886-A1 NOVEL PYRIDINECARBOXAMIDE DERIVATIVES Nisshin Flour Milling Co., Ltd. (JP) 1998-12-23 EP disclosed
EP-0882716-A1 PYRIDINECARBOXAMIDE DERIVATIVES Nisshin Flour Milling Co., Ltd. (JP) 1998-12-09 EP disclosed