SCHEMBL8529906

SCHEMBL8529906

CCOC(=O)c1c(N)n[nH]c1CCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.52
SMN1; SMN2 Q16637 7/20 0.51
MAPT P10636 3/20 0.50
HTT P42858 2/20 0.50
MAPK10 P53779 1/20 0.50
MAPK1 P28482 1/20 0.48
RAB9A P51151 4/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 3/20 0.47
TP53 P04637 1/20 0.47
NPC1 O15118 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44

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
SCHEMBL11160154 0.80 SMN1; SMN2 (0.55) SMN1; SMN2MAPTHTTMAPK10MAPK1
SCHEMBL4119634 0.78 SMN1; SMN2 (0.54) SMN1; SMN2MAPTHTTMAPK10MAPK1
SCHEMBL13495321 0.74 SMN1; SMN2 (0.53) ALOX5SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL6228465 0.73 KMT2A (0.51) ALOX5SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL25382643 0.73 SMN1; SMN2 (0.52) ALOX5SMN1; SMN2MAPTMAPK1RAB9A
SCHEMBL6385502 0.73 SMN1; SMN2 (0.52) SMN1; SMN2MAPTHTTMAPK10MAPK1
SCHEMBL600955 0.73 PDE4D (0.71) SMN1; SMN2MAPTHTTMAPK10MAPK1
SCHEMBL942577 0.73 PDE4D (0.56) SMN1; SMN2MAPTHTTMAPK10MAPK1
SCHEMBL9026168 0.72 KDM4E (0.58) SMN1; SMN2MAPTHTTRAB9AKDM4E
SCHEMBL3262663 0.72 SMN1; SMN2 (0.51) ALOX5SMN1; SMN2MAPTMAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846991-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-08 US disclosed
US-5840909-A Pyrazole derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-11-24 US disclosed
US-5817828-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS; VISION DEFECTS NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-10-06 US disclosed
US-5721264-A EXHIBIT ANTAGONISTIC EFFECT AGAINST ANGIOTENSIN II; USEFUL FOR PREVENTION AND REMEDY OF HYPERTENSION, CONGESTIVE HEARTFAILURE, CHRONIC RENAL INSUFFICIENCY, ALDOSTERONISM NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-24 US disclosed
EP-0693480-A1 PYRAZOLE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-01-24 EP disclosed