SCHEMBL7843936

SCHEMBL7843936

COC(=O)c1nc(C#N)ccc1OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
HPGD P15428 2/20 0.44
LMNA P02545 1/20 0.44
XDH P47989 3/20 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
BRD4 O60885 1/20 0.42
RNASEH1 O60930 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
MAOB P27338 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL24227963 0.82 LMNA (0.40) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL30503272 0.82 LMNA (0.40) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL27048215 0.82 LMNA (0.40) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL4699590 0.82 HPGD (0.51) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL26193220 0.81 LMNA (0.39) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL595556 0.81 SMPD1 (0.48) MRGPRX4HPGDLMNASMPD1HDAC1
SCHEMBL4703419 0.81 SMPD1 (0.48) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL7845570 0.81 GAA (0.48) HPGDLMNASMPD1HDAC1HDAC8
SCHEMBL30497608 0.81 SMPD1 (0.48) MRGPRX4HPGDLMNASMPD1HDAC1
SCHEMBL20944324 0.80 PDE4A (0.44) HPGDKDM4EALDH1A1SMN1; SMN2

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-0507962-B1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO (JP) 2001-06-13 EP disclosed
US-5391537-A Picolinic acid derivative, and herbicidal composition KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-02-21 US disclosed
EP-0507962-A1 PICOLINIC ACID DERIVATIVE, PRODUCTION THEREOF, AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1992-10-14 EP disclosed