SCHEMBL18619482

SCHEMBL18619482

CC(C)Nc1cc(Cl)c(I)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.36
KAT2B Q92831 1/20 0.33
GAA P10253 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GLP1R P43220 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL14407222 0.73 ADRA2A (0.43) NR4A2KAT2BTDP1MAPK1
SCHEMBL20393588 0.72 NR4A2 (0.34) NR4A2KAT2B
SCHEMBL27401613 0.71 ALPL (0.37) NR4A2KAT2B
SCHEMBL9250961 0.71 AHR (0.39) GAATDP1MAPK1
SCHEMBL4305366 0.69 CYP3A4 (0.46) NR4A2GAATDP1MAPK1
SCHEMBL30374051 0.69 NR4A2 (0.38) NR4A2GAA
SCHEMBL20096882 0.68 GAA (0.40) NR4A2KAT2BGAATDP1GLP1R
SCHEMBL2157691 0.68 CA1 (0.55) NR4A2GAA
SCHEMBL8359924 0.68 RAPGEF4 (0.47) NR4A2GAATDP1
SCHEMBL20655526 0.68 NPC1 (0.47) GAA

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-2017038838-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF 大鵬薬品工業株式会社 2017-03-09 WO disclosed