SCHEMBL8482247

SCHEMBL8482247

COCc1ccccc1CCNc1ncnc2c(C)csc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
RAB9A P51151 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LPAR2 Q9HBW0 8/20 0.40
LPAR1 Q92633 3/20 0.38
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
NR2F2 P24468 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LDHA P00338 1/20 0.36
PRKCI P41743 1/20 0.35
MAPK1 P28482 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9607976 0.82 MAPT (0.38) MAPTRAB9AHTTSMN1; SMN2LPAR2
SCHEMBL8497061 0.82 RAB9A (0.64) MAPTRAB9AHTTSMN1; SMN2MEN1
SCHEMBL8496692 0.79 PDE4A (0.53) LDHA
SCHEMBL8485494 0.79 RPS6KB1 (0.47) MAPTRAB9AHTTSMN1; SMN2MEN1
SCHEMBL30808068 0.79 LDHA (0.46) MAPTRAB9AHTTSMN1; SMN2LPAR2
SCHEMBL8484113 0.77 HTT (0.42) MAPTRAB9AHTTSMN1; SMN2MEN1
SCHEMBL8483456 0.76 RXFP1 (0.42) MAPTHTTSMN1; SMN2NR2F2KMT2A
SCHEMBL9609202 0.75 KMT2A (0.40) RAB9AHTTSMN1; SMN2MEN1NPC1
SCHEMBL9609199 0.75 KMT2A (0.42) RAB9AHTTSMN1; SMN2MEN1NPC1
SCHEMBL8490055 0.74 KMT2A (0.61) RAB9AHTTSMN1; SMN2MEN1NPC1

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