SCHEMBL8323610

SCHEMBL8323610

CC(=O)Nc1ccc(OCc2ccccc2)c(C=O)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.54
PTGER1 P34995 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA1 P30542 1/20 0.47
PPIA P62937 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CYP19A1 P11511 2/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
MAPT P10636 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SGMS2 Q8NHU3 1/20 0.43
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL8324299 0.82 BRD4 (0.57) BRD4PTGER1ADORA3ADORA1PPIA
SCHEMBL8324647 0.80 BRD4 (0.54) BRD4PTGER1ADORA3ADORA1PPIA
SCHEMBL3872301 0.77 MAPT (0.51) BRD4MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL23121560 0.75 MAPK8 (0.69) BRD4ADORA3ADORA1PPIAMEN1
SCHEMBL24228010 0.74 SMN1; SMN2 (0.51) PTGER1KDM4EMAPTSMN1; SMN2L3MBTL1
SCHEMBL4799872 0.73 KDM4E (0.44) ADORA3ADORA1KDM4EL3MBTL1
SCHEMBL15088043 0.72 PPIA (0.61) BRD4PPIAMEN1KMT2AKDM4E
SCHEMBL31339021 0.71 NPC1 (0.48) PTGER1PPIAMAPTSMN1; SMN2L3MBTL1
SCHEMBL26618448 0.71 NPC1 (0.48) PTGER1PPIAMAPTSMN1; SMN2L3MBTL1
SCHEMBL8924076 0.71 BRD4 (1.00) BRD4PPIAMEN1KMT2ACYP19A1

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-0567133-B1 Picolinic acid derivatives and herbicidal compositions KUMIAI CHEMICAL INDUSTRY CO (JP) 1999-11-03 EP 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