SCHEMBL27685288

SCHEMBL27685288

Oc1ccc(-c2ncc(Nc3ccc(Cl)cc3)[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 3/20 0.52
GSK3B P49841 1/20 0.47
MAPT P10636 7/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
ALOX5 P09917 2/20 0.46
MAPKAPK2 P49137 2/20 0.46
CYP3A4 P08684 2/20 0.46
DEGS1 O15121 1/20 0.46
MAP4K4 O95819 1/20 0.46
AMY1A P0DUB6 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
PIM3 Q86V86 1/20 0.46
MINK1 Q8N4C8 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46
SCN2A Q99250 1/20 0.45

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
SCHEMBL27685287 0.83 EGFR (0.52) VCPGSK3BALOX5MAP4K4MAPK1
SCHEMBL27685418 0.78 KMT2A (0.51) MEN1KMT2AAURKA
SCHEMBL26094287 0.78 SCN2A (0.73) MAPK1SCN2APOLBCYP19A1
SCHEMBL27685301 0.73 SCN2A (0.48) MAPTMEN1KMT2ASCN2AHTT
SCHEMBL11156115 0.72 GSK3B (0.53) VCPGSK3BMAPTMEN1KMT2A
SCHEMBL25243020 0.70 MEN1 (0.47) MAPTMEN1KMT2ACYP3A4GAA
SCHEMBL14465944 0.69 VCP (1.00) VCPALOX5
SCHEMBL25286380 0.69 SCN2A (0.60) GSK3BMAPTCYP3A4ALOX15SCN2A
SCHEMBL8383701 0.68 COMT (0.65) MEN1KMT2ATSHRMAPK1SCN2A
SCHEMBL1180501 0.68 SCN2A (0.64) GSK3BSCN2A

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
CN-101044125-A Heterocyclic compounds and methods of use TARGEGEN INC (US) 2007-09-26 CN disclosed