SCHEMBL8204792

SCHEMBL8204792

COc1ccc2[nH]cc(C=C3SC(=N)NC3=O)c2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.58
NTRK1 P04629 3/20 0.55
NTRK3 Q16288 2/20 0.55
NTRK2 Q16620 2/20 0.55
PRKD3 O94806 1/20 0.55
ABL1 P00519 1/20 0.55
RET P07949 1/20 0.55
PDGFRB P09619 1/20 0.55
LTK P29376 1/20 0.55
KDR P35968 1/20 0.55
MAP2K2 P36507 1/20 0.55
FLT3 P36888 1/20 0.55
CSNK1A1 P48729 1/20 0.55
CDK8 P49336 1/20 0.55
CDK7 P50613 1/20 0.55
MAP2K1 Q02750 1/20 0.55
MST1R Q04912 1/20 0.55
AURKB Q96GD4 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
ALK Q9UM73 1/20 0.55

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
SCHEMBL8204790 1.00 POLB (0.58) POLBNTRK1NTRK3NTRK2PRKD3
SCHEMBL15421407 0.79 CA2 (0.73) POLBALDH1A1CA2GSK3BMEN1
SCHEMBL15421403 0.79 CA2 (0.73) POLBALDH1A1CA2GSK3BMEN1
SCHEMBL15312912 0.79 KDM4E (0.55) POLBNTRK1NTRK3NTRK2PRKD3
SCHEMBL622599 0.79 KDM4E (0.55) POLBNTRK1NTRK3NTRK2PRKD3
SCHEMBL7557643 0.78 GSK3B (0.51) POLBNTRK1NTRK3NTRK2PRKD3
SCHEMBL4324078 0.77 ALDH1A1 (0.55) POLBNTRK1NTRK3NTRK2PRKD3
SCHEMBL1429142 0.77 ALDH1A1 (0.55) POLBNTRK1NTRK3NTRK2PRKD3
SCHEMBL8197809 0.76 PIM1 (0.48) POLBALDH1A1GSK3BMEN1KMT2A
SCHEMBL8197811 0.76 PIM1 (0.48) POLBALDH1A1GSK3BMEN1KMT2A

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-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 WO disclosed