SCHEMBL11445310

SCHEMBL11445310

N#Cc1cccc(C(=O)c2ccc(Cl)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 10/20 0.61
GSK3B P49841 2/20 0.53
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
SRD5A2 P31213 1/20 0.47
MAPK1 P28482 1/20 0.47
CLK1 P49759 1/20 0.47
DYRK1A Q13627 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
GRM5 P41594 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4201889 0.86 ATM (0.63) VNN1GSK3BCLK1DYRK1ADYRK1B
SCHEMBL7273846 0.85 CLK1 (0.58) VNN1GSK3BCLK1DYRK1ADYRK1B
SCHEMBL9797519 0.83 GSK3B (0.53) VNN1GSK3BCLK1DYRK1ADYRK1B
SCHEMBL6651723 0.83 GSK3B (0.53) VNN1GSK3BCLK1DYRK1ADYRK1B
SCHEMBL9694596 0.82 TSHR (0.59) GSK3BSRD5A2MAPK1
SCHEMBL809735 0.82 ATM (0.67) SRD5A2MAPK1ATMTDP1L3MBTL1
SCHEMBL9856491 0.81 GSK3B (0.54) VNN1GSK3BCLK1DYRK1ADYRK1B
SCHEMBL18286228 0.80 VNN1 (0.64) VNN1
SCHEMBL7780410 0.80 VNN1 (0.63) VNN1GSK3BMAPK1L3MBTL1
SCHEMBL507406 0.80 GSK3B (0.60) VNN1GSK3B

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
US-4192890-A Novel benzoylphenylacetic acid esters ROUSSEL UCLAF (FR) 1980-03-11 US disclosed