SCHEMBL5583853

SCHEMBL5583853

COc1ccnc(C(=O)NCc2ccccc2)c1O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
HPGD P15428 4/20 0.57
TP53 P04637 1/20 0.57
GLA P06280 1/20 0.57
POLB P06746 1/20 0.52
KDM4E B2RXH2 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
MAPT P10636 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.50
GSK3B P49841 1/20 0.50
MEN1 O00255 3/20 0.49
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
HSD17B10 Q99714 1/20 0.48
GAA P10253 2/20 0.48
HTT P42858 1/20 0.47

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
SCHEMBL5583878 0.91 MAPK14 (0.52) KMT2AHPGDTP53GLAPOLB
SCHEMBL6372807 0.87 KMT2A (0.51) KMT2APOLBNPSR1MAPTL3MBTL1
SCHEMBL5583623 0.85 RAB9A (0.50) KMT2AHPGDTP53POLBKDM4E
SCHEMBL5583644 0.84 RAB9A (0.52) KMT2AHPGDTP53POLBMEN1
SCHEMBL5515965 0.82 KMT2A (0.61) KMT2AGSK3BALDH1A1LMNASMN1; SMN2
SCHEMBL19937647 0.81 KMT2A (0.43) KMT2AHPGDTP53GLAKDM4E
SCHEMBL2486939 0.80 EPHX2 (0.53) KMT2AHPGDMAPTMEN1ALDH1A1
SCHEMBL14284398 0.80 EGLN1 (0.46) KMT2AHTT
SCHEMBL5583817 0.80 MAPT (0.56) KMT2ATP53POLBKDM4ENPSR1
SCHEMBL5583719 0.80 NPC1 (0.53) KMT2AHPGDKDM4EMAPTGSK3B

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
US-RE39991-E1 Fungicidal heterocyclic aromatic amides and their compositions, methods of use and preparation DOW AGROSCIENCES LLC (US) 2008-01-01 US disclosed
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