SCHEMBL10368043

SCHEMBL10368043

N#Cc1c(C(=O)NC2CC2)cnn1-c1ccc(F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
TYK2 P29597 1/20 0.44
TP53 P04637 1/20 0.44
HPGDS O60760 1/20 0.43
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPK13 O15264 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSB P07858 1/20 0.41
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
CTSC P53634 1/20 0.41
PDE4B Q07343 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
SCHEMBL10366777 0.88 CNR1 (0.55) NPC1RAB9AALDH1A1CNR1CNR2
SCHEMBL10368254 0.88 CNR1 (0.52) MAPK14NPC1RAB9ACNR1CNR2
SCHEMBL10366707 0.88 POLB (0.52) MAPK14NPC1RAB9ACNR1CNR2
SCHEMBL10365918 0.83 CNR1 (0.50) NPC1RAB9ACNR1CNR2PDE4B
SCHEMBL10367092 0.83 MAPK14 (0.52) MAPK14NPC1RAB9AALDH1A1KDM4E
SCHEMBL10366036 0.81 CNR1 (0.53) NPC1RAB9ACNR1CNR2MEN1
SCHEMBL10366679 0.80 MAPK14 (0.46) MAPK14ALDH1A1KDM4EMEN1KMT2A
SCHEMBL10893230 0.79 MAPK14 (0.53) MAPK14SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL10369901 0.79 PDE4B (0.48) CTSKPDE4BPDE4D
SCHEMBL10366047 0.77 CNR1 (0.41) NPC1RAB9ATYK2TP53HPGD

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
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