SCHEMBL5498348

SCHEMBL5498348

CCC(C)Nc1c(-c2cc(F)ccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 1/20 0.41
CRHR1 P34998 2/20 0.38
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.34
PDE2A O00408 3/20 0.34
ALDH1A1 P00352 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
APP P05067 1/20 0.33

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
SCHEMBL4821114 0.85 KMT2A (0.39) KMT2AGAAMEN1CRHR1MAPK1
SCHEMBL7831913 0.83 CRHR1 (0.36) KMT2AGAAMEN1CRHR1MAPK1
SCHEMBL5593210 0.82 CRHR1 (0.36) KMT2AGAAMEN1CRHR1MAPK1
SCHEMBL7950455 0.82 CRHR1 (0.40) KMT2AGAAMEN1CRHR1MAPK1
SCHEMBL5936228 0.80 CRHR1 (0.38) KMT2AGAACRHR1HTTPDE2A
SCHEMBL7496223 0.80 ALDH1A1 (0.38) KMT2AGAAMEN1CRHR1MAPK1
SCHEMBL5247157 0.80 CRHR1 (0.53) CRHR1MAPK1HTTALDH1A1TSHR
SCHEMBL5593464 0.79 CRHR1 (0.39) KMT2AMEN1CRHR1HTTALDH1A1
SCHEMBL4811963 0.79 ENPP1 (0.36) KMT2AGAAMEN1CRHR1HTT
SCHEMBL6185497 0.78 CRHR1 (0.44) KMT2ACRHR1MAPK1HTTPDE2A

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-1725557-B1 6-(2-CHLORO-5-HALOPHENYL)-TRIAZOLOPYRIMIDINE, METHOD FOR PRODUCTION AND USE THEREOF FOR CONTROLLING FUNGAL PESTS AND AGENTS COMPRISING THE SAME BASF AG (DE) 2007-08-01 EP disclosed
EP-1725557-A1 6-(2-CHLORO-5-HALOPHENYL)-TRIAZOLOPYRIMIDINE, METHOD FOR PRODUCTION AND USE THEREOF FOR CONTROLLING FUNGAL PESTS AND AGENTS COMPRISING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2006-11-29 EP disclosed
WO-2005070933-A1 6-(2-CHLORO-5-HALOPHENYL)-TRIAZOLOPYRIMIDINE, METHOD FOR PRODUCTION AND USE THEREOF FOR CONTROLLING FUNGAL PESTS AND AGENTS COMPRISING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2005-08-04 WO disclosed