SCHEMBL9532057

SCHEMBL9532057

Cc1ccc(CON=C(c2ccccc2)c2ccccn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.54
RAB9A P51151 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 4/20 0.48
CDK5 Q00535 2/20 0.48
CDK5R1 Q15078 2/20 0.48
KMT2A Q03164 2/20 0.48
PAX8 Q06710 1/20 0.48
KLF5 Q13887 1/20 0.47
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
AGTR1 P30556 1/20 0.43
MITF O75030 1/20 0.43
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42

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
SCHEMBL1796749 0.90 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL8289135 0.90 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL1796753 0.90 NPC1 (0.53) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL9530015 0.87 KDM4E (0.57) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL9532773 0.83 SMN1; SMN2 (0.57) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL10406690 0.82 ALDH1A1 (0.59) NPC1RAB9ASMN1; SMN2L3MBTL1KMT2A
SCHEMBL13606804 0.82 NPC1 (0.51) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL9532752 0.82 RAB9A (0.47) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1
SCHEMBL9529568 0.81 KDM4E (0.51) NPC1RAB9APKMCDK5CDK5R1
SCHEMBL9530136 0.79 ALDH1A1 (0.62) NPC1RAB9ASMN1; SMN2LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0366006-B1 PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-29 EP disclosed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed