SCHEMBL8414889

SCHEMBL8414889

O=[C]OC(=O)c1ncc[nH]1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
GLA P06280 1/20 0.33
BRAF P15056 1/20 0.33
HDAC1 Q13547 1/20 0.33
TBXAS1 P24557 2/20 0.31
HSPA5 P11021 1/20 0.31
CSNK1A1 P48729 1/20 0.30
TYRO3 Q06418 1/20 0.30
DYRK1B Q9Y463 1/20 0.30

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
SCHEMBL29014454 0.81 NPC1 (0.44) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL31229951 0.79 NPC1 (0.47) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL6381082 0.77 NPC1 (0.40) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL5317101 0.76
SCHEMBL6270339 0.76
SCHEMBL262815 0.76
SCHEMBL179869 0.74 NPC1 (0.44) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL3760397 0.74
SCHEMBL1150474 0.73 NPC1 (0.43) NPC1RAB9AKMT2AALDH1A1KDM4E
SCHEMBL14691350 0.73 NPC1 (0.43) NPC1RAB9AKMT2AALDH1A1KDM4E

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-0934254-A1 PRODUCTION OF PYRIDAZINE HERBICIDES SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-11 EP disclosed
WO-1998017632-A1 PRODUCTION OF PYRIDAZINE HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-30 WO disclosed