SCHEMBL8324647

SCHEMBL8324647

COC(=O)c1nc(NC(C)=O)ccc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 6/20 0.54
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP19A1 P11511 1/20 0.47
PTGER1 P34995 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ADORA1 P30542 1/20 0.47
PPIA P62937 1/20 0.46
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
MTNR1A P48039 1/20 0.44
MTNR1B P49286 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
HDAC6 Q9UBN7 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 0.90 BRD4 (0.57) BRD4MEN1KMT2AKDM4ECYP19A1
SCHEMBL4699590 0.82 HPGD (0.51) BRD4KMT2APPIALMNAHPGD
SCHEMBL4703419 0.81 SMPD1 (0.48) BRD4MEN1KMT2AKDM4ELMNA
SCHEMBL595556 0.81 SMPD1 (0.48) BRD4KDM4ELMNAHPGDSMPD1
SCHEMBL7845570 0.81 GAA (0.48) BRD4PTGER1LMNAHPGDSMPD1
SCHEMBL30497608 0.81 SMPD1 (0.48) BRD4KDM4ELMNAHPGDSMPD1
SCHEMBL5583772 0.80 PTPN1 (0.47) BRD4MEN1KMT2ALMNAHPGD
SCHEMBL8323610 0.80 BRD4 (0.54) BRD4MEN1KMT2AKDM4ECYP19A1
SCHEMBL7846608 0.80 L3MBTL1 (0.46) BRD4KDM4ELMNAHPGDSMPD1
SCHEMBL7846688 0.79 HTR1A (0.49) BRD4KDM4ELMNAHPGDSMPD1

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