SCHEMBL10366102

SCHEMBL10366102

CCCNC(=O)c1cnn(-c2ccccc2)c1C#N

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.50
MAPK14 Q16539 2/20 0.48
NR4A3 Q92570 1/20 0.47
ALDH1A1 P00352 7/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 3/20 0.44
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPK1 P28482 2/20 0.44
POLB P06746 1/20 0.43
MAPK11 Q15759 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
SCHEMBL10368553 0.90 HPGD (0.52) HPGDMAPK14NR4A3ALDH1A1NPC1
SCHEMBL10365971 0.83 MAPK14 (0.50) HPGDMAPK14NR4A3ALDH1A1NPC1
SCHEMBL10366594 0.82 MEN1 (0.67) HPGDMAPK14NR4A3ALDH1A1NPC1
SCHEMBL10367016 0.81 NPC1 (0.54) HPGDMAPK14NR4A3ALDH1A1NPC1
SCHEMBL10364979 0.81 HPGD (0.53) HPGDMAPK14NR4A3ALDH1A1NPC1
SCHEMBL10366595 0.80 LMNA (0.46) HPGDMAPK14NR4A3ALDH1A1NPC1
SCHEMBL10367397 0.80 POLB (0.48) HPGDALDH1A1NPC1RAB9AGAA
SCHEMBL10366707 0.79 POLB (0.52) MAPK14NPC1RAB9APOLBMAPK11
SCHEMBL10366838 0.79 RAB9A (0.49) HPGDMAPK14ALDH1A1NPC1RAB9A
SCHEMBL6963674 0.79 POLB (0.55) HPGDMAPK14NR4A3ALDH1A1MAPT

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-0151867-B1 CYANOPYRAZOLE HERBICIDES ELI LILLY AND COMPANY (US) 1990-01-10 EP disclosed
US-4589905-A TERRESTRIAL AND AQUATIC APPLICATIONS ELI LILLY AND COMPANY (US) 1986-05-20 US disclosed
EP-0151867-A2 Cyanopyrazole herbicides ELI LILLY AND COMPANY (US) 1985-08-21 EP disclosed