SCHEMBL10344760

SCHEMBL10344760

COCc1ccccc1C#CCCNc1ncnc(Cl)c1N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.44
GALR3 O60755 1/20 0.44
KDM4C Q9H3R0 1/20 0.38
KMT2A Q03164 5/20 0.34
LDHA P00338 1/20 0.34
MAPT P10636 6/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 5/20 0.33
HTT P42858 4/20 0.33
LMNA P02545 3/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 2/20 0.33
FFAR1 O14842 1/20 0.32
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
RXFP1 Q9HBX9 2/20 0.32
MEN1 O00255 2/20 0.31

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
SCHEMBL9608217 0.89 KMT2A (0.35) RAB9AGALR3KMT2ALDHAGAA
SCHEMBL9608215 0.88 KMT2A (0.36) RAB9AGALR3KMT2ALDHAGAA
SCHEMBL9608218 0.87 KMT2A (0.34) RAB9AGALR3KMT2ALDHAGAA
SCHEMBL12960839 0.87 KMT2A (0.34) RAB9AGALR3KMT2ALDHAGAA
SCHEMBL9608214 0.84 KMT2A (0.35) RAB9AKMT2ALDHAGAAKDM4E
SCHEMBL9608177 0.81 AURKA (0.41) KMT2ALDHAKDM4EHTTSMN1; SMN2
SCHEMBL8504062 0.81 LDHA (0.57) RAB9AGALR3KMT2ALDHAMAPT
SCHEMBL9608179 0.81 LDHA (0.39) RAB9AKMT2ALDHAKDM4EHTT
SCHEMBL9608178 0.80 PIK3CD (0.53) LDHAKDM4EHTTLMNASMN1; SMN2
SCHEMBL9608195 0.80 KMT2A (0.38) KMT2ALDHAKDM4ESMN1; SMN2ALDH1A1

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
WO-2012096061-A1 PYRIMIDINE-DERIVED PEST-CONTROL AGENT FOR USE IN AGRICULTURE AND HORTICULTURE 株式会社エス・ディー・エス バイオテック (JP) 2012-07-19 WO disclosed