SCHEMBL10367397

SCHEMBL10367397

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

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
ALDH1A1 P00352 8/20 0.47
HPGD P15428 2/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
PKM P14618 2/20 0.46
MAPK1 P28482 2/20 0.45
RIPK2 O43353 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44

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
SCHEMBL10365971 0.85 MAPK14 (0.50) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL10366595 0.85 LMNA (0.46) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL10368553 0.82 HPGD (0.52) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL10365977 0.81 RIPK2 (0.63) POLBALDH1A1HPGDRAB9AMAPK1
SCHEMBL6963674 0.81 POLB (0.55) POLBALDH1A1HPGDMAPK1RIPK2
SCHEMBL10365404 0.80 POLB (0.51) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL10366102 0.80 HPGD (0.50) POLBALDH1A1HPGDNPC1RAB9A
SCHEMBL10366707 0.79 POLB (0.52) POLBNPC1RAB9A
SCHEMBL10368592 0.79 MAPK1 (0.44) ALDH1A1HPGDNPC1RAB9AMAPK1
SCHEMBL10340537 0.78 ALDH1A1 (0.68) ALDH1A1HPGDRAB9ASMN1; SMN2KDM4E

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