SCHEMBL7546496

SCHEMBL7546496

COCOCCCCCCCCCCCCCCCO

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.39
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ACHE P22303 6/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 1/20 0.31
PRKCA P17252 1/20 0.31

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
SCHEMBL7546929 1.00 MEN1 (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL21834935 1.00 MEN1 (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7543105 1.00 MEN1 (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7545564 1.00 MEN1 (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9067368 1.00 MEN1 (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL7542074 1.00 MEN1 (0.43) MEN1KMT2ATHRBHTTMAPT
SCHEMBL4397680 0.97
SCHEMBL4402703 0.90
SCHEMBL12614042 0.87 ALDH1A1 (0.35) MEN1KMT2ATHRBHTTMAPT
SCHEMBL9530952 0.86 MEN1 (0.45) MEN1KMT2ATHRBHTTMAPT

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 3 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 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