SCHEMBL5583772

SCHEMBL5583772

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
BRD4 O60885 1/20 0.45
LMNA P02545 2/20 0.44
HPGD P15428 1/20 0.44
SMPD1 P17405 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 2/20 0.42

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
SCHEMBL4703419 0.88 SMPD1 (0.48) BRD4LMNAHPGDSMPD1HDAC1
SCHEMBL7846688 0.86 HTR1A (0.49) BRD4LMNAHPGDSMPD1HDAC1
SCHEMBL4699590 0.82 HPGD (0.51) BRD4LMNAHPGDSMPD1HDAC1
SCHEMBL5583599 0.81 LMNA (0.52) PTPN1LMNAHPGDSMPD1HDAC1
SCHEMBL30497608 0.81 SMPD1 (0.48) BRD4LMNAHPGDSMPD1HDAC1
SCHEMBL595556 0.81 SMPD1 (0.48) BRD4LMNAHPGDSMPD1HDAC1
SCHEMBL7845570 0.81 GAA (0.48) BRD4LMNAHPGDSMPD1HDAC1
SCHEMBL8324647 0.80 BRD4 (0.54) BRD4LMNAHPGDSMPD1HDAC1
SCHEMBL7846608 0.80 L3MBTL1 (0.46) BRD4LMNAHPGDSMPD1HDAC1
SCHEMBL20616566 0.79 SMN1; SMN2 (0.49) BRD4HPGDSMPD1HDAC1HDAC8

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
US-7183278-B1 Picolinamide derivative and harmful organism control agent comprising said picolinamide derivative as active component MEIJI SEIKA KAISHA, LTD. (JP) 2007-02-27 US disclosed
EP-1134214-A1 PICOLINAMIDE DERIVATIVES AND PEST CONTROLLERS CONTAINING THE SAME AS THE ACTIVE INGREDIENT MEIJI SEIKA KAISHA LTD. (JP) 2001-09-19 EP disclosed