SCHEMBL7549059

SCHEMBL7549059

O=C(NCCCCCCCCCCCCCCCCO)c1ccc(Cl)nc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
POLB P06746 1/20 0.52
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
KDM4E B2RXH2 1/20 0.50
BRD4 O60885 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
MAPK1 P28482 1/20 0.46
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46

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
SCHEMBL7544789 1.00 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL9183739 1.00 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL7542183 1.00 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL9181450 1.00 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL7534634 1.00 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL9377082 1.00 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL9183141 1.00 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL7541410 1.00 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL7545567 1.00 RAB9A (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1
SCHEMBL31365964 0.87 L3MBTL1 (0.60) RAB9ASMN1; SMN2NPC1L3MBTL1MEN1

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