SCHEMBL28056250

SCHEMBL28056250

ClCc1ccc(Nc2ccccc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.51
MAPT P10636 5/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
CNR2 P34972 4/20 0.46
ALDH1A1 P00352 2/20 0.44
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
KDM4E B2RXH2 2/20 0.42
RAB9A P51151 2/20 0.42
ALPG P10696 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CDK2 P24941 2/20 0.42
MET P08581 1/20 0.41
GRM5 P41594 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40

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
SCHEMBL9074229 0.82 HCAR3 (0.56) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL152586 0.82 HCAR3 (0.51) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL8545034 0.82 HCAR3 (0.51) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL7450801 0.78 HCAR3 (0.59) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL21258720 0.76 HCAR3 (0.56) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL9076114 0.73 HCAR3 (0.43) HCAR3MAPTMEN1KMT2ALMNA
Diphenylamine SCHEMBL27551533 0.72 HSD17B10 (0.60) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL83157 0.72 HCAR3 (0.56) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL2280918 0.72 ALDH1A1 (0.60) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL670916 0.72 HCAR3 (0.56) HCAR3MAPTMEN1KMT2ALMNA

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-105331447-A Sterilizing cleaning composition with rich and stable foam LI BIDAN 2016-02-17 CN disclosed