SCHEMBL8484236

SCHEMBL8484236

COCc1ccccc1CCNc1ncnc2ncccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
HTT P42858 7/20 0.45
MAPK1 P28482 5/20 0.45
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
APP P05067 2/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EGFR P00533 2/20 0.41
KMT2A Q03164 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
NR2F2 P24468 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALOX12 P18054 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
IP6K1 Q92551 1/20 0.39
SLC29A1 Q99808 1/20 0.38

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
SCHEMBL9608231 0.81 LDHA (0.40) LDHAHTTMAPK1LMNASMN1; SMN2
SCHEMBL8485494 0.80 RPS6KB1 (0.47) LDHAHTTMAPK1LMNASMN1; SMN2
SCHEMBL9609099 0.80 RPS6KB1 (0.52) LDHAHTTMAPK1LMNASMN1; SMN2
SCHEMBL8491743 0.79 RPS6KB1 (0.46) LDHAHTTMAPK1LMNASMN1; SMN2
SCHEMBL8504575 0.79 RPS6KB1 (0.46) LDHAHTTMAPK1LMNASMN1; SMN2
SCHEMBL8490055 0.77 KMT2A (0.61) HTTMAPK1LMNASMN1; SMN2KMT2A
SCHEMBL8490466 0.77 RPS6KB1 (0.49) LDHAHTTMAPK1LMNASMN1; SMN2
SCHEMBL8483358 0.76 HTT (0.60) LDHAHTTMAPK1LMNASMN1; SMN2
SCHEMBL9609208 0.76 RAB9A (0.40) LDHAHTTMAPK1LMNASMN1; SMN2
SCHEMBL8484024 0.75 EGFR (0.61) HTTMAPK1LMNASMN1; SMN2MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 EP disclosed