SCHEMBL7545025

SCHEMBL7545025

COC(=O)CCCCCCCCCCCCCCN

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
PAOX Q6QHF9 4/20 0.56
LMNA P02545 4/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 2/20 0.52
RECQL P46063 2/20 0.52
MEN1 O00255 1/20 0.52
PLG P00747 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KDM4E B2RXH2 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.48
NFKB1 P19838 1/20 0.48
BLM P54132 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL1147174 1.00 TSHR (0.64) TSHRPAOXLMNAALDH1A1KMT2A
SCHEMBL1235539 1.00 TSHR (0.64) TSHRPAOXLMNAALDH1A1KMT2A
SCHEMBL1701715 1.00 TSHR (0.64) TSHRPAOXLMNAALDH1A1KMT2A
SCHEMBL3208419 1.00 TSHR (0.64) TSHRPAOXLMNAALDH1A1KMT2A
SCHEMBL7545108 1.00 TSHR (0.64) TSHRPAOXLMNAALDH1A1KMT2A
SCHEMBL2822938 1.00 TSHR (0.64) TSHRPAOXLMNAALDH1A1KMT2A
SCHEMBL7541388 1.00 TSHR (0.64) TSHRPAOXLMNAALDH1A1KMT2A
SCHEMBL7548607 1.00 TSHR (0.64) TSHRPAOXLMNAALDH1A1KMT2A
SCHEMBL2128896 1.00 TSHR (0.64) TSHRPAOXLMNAALDH1A1KMT2A
SCHEMBL905418 1.00 TSHR (0.64) TSHRPAOXLMNAALDH1A1KMT2A

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