SCHEMBL8318786

SCHEMBL8318786

COC(=O)c1nc(N2CCCC2)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
LRRK2 Q5S007 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
GBA1 P04062 1/20 0.44
APP P05067 3/20 0.43
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
ALOX12 P18054 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL8325110 0.88 LRRK2 (0.44) KMT2AMEN1LRRK2NPC1RAB9A
SCHEMBL4699590 0.79 HPGD (0.51) KMT2ANPC1RAB9AMAPTL3MBTL1
SCHEMBL4703419 0.78 SMPD1 (0.48) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7845570 0.78 GAA (0.48) NPC1RAB9AGAASMN1; SMN2LMNA
SCHEMBL30497608 0.78 SMPD1 (0.48) LRRK2NPC1RAB9AKDM4ETP53
SCHEMBL595556 0.78 SMPD1 (0.48) LRRK2NPC1RAB9AKDM4ETP53
SCHEMBL7846608 0.77 L3MBTL1 (0.46) NPC1RAB9AKDM4EALDH1A1L3MBTL1
SCHEMBL7844324 0.76 HPGD (0.45) KMT2AMEN1NPC1RAB9AAPP
SCHEMBL7846688 0.76 HTR1A (0.49) NPC1RAB9AKDM4EMAPTL3MBTL1
SCHEMBL24227968 0.75 MEN1 (0.46) KMT2AMEN1NPC1RAB9AKDM4E

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
EP-0567133-B1 Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-11-03 EP disclosed
CN-1044369-C Picolinic acid and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-07-28 CN disclosed
CN-1206008-A Pyridine carboxylic acid and herbicide composition thereof KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-01-27 CN disclosed
US-5403816-A Picolinic acid derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-04 US disclosed
EP-0567133-A1 Picolinic acid derivative and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-10-27 EP disclosed