SCHEMBL9035638

SCHEMBL9035638

COc1c(N[C@H]2CC[C@H](C(C)(C)CC(C)(C)C)CC2)ccnc1C

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FGFR2 P21802 1/20 0.34
NSD2 O96028 1/20 0.32
GRM1 Q13255 1/20 0.31
DRD2 P14416 2/20 0.31
DRD3 P35462 2/20 0.31
HPGDS O60760 1/20 0.31
MAOA P21397 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
CLK4 Q9HAZ1 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
SCHEMBL9035632 1.00 FGFR2 (0.34) FGFR2NSD2GRM1DRD2DRD3
Hydrochloric Acid SCHEMBL8707219 0.99 FGFR2 (0.34) FGFR2NSD2GRM1DRD2DRD3
Hydrochloric Acid SCHEMBL8710432 0.99 FGFR2 (0.34) FGFR2NSD2GRM1DRD2DRD3
SCHEMBL8705285 0.89 NSD2 (0.35) FGFR2NSD2GRM1DRD2DRD3
SCHEMBL8705288 0.89 NSD2 (0.35) FGFR2NSD2GRM1DRD2DRD3
SCHEMBL8706052 0.88 FGFR2 (0.34) FGFR2NSD2GRM1DRD2DRD3
SCHEMBL9034335 0.87 NSD2 (0.36) FGFR2NSD2GRM1DRD2DRD3
SCHEMBL8710322 0.87 NSD2 (0.36) FGFR2NSD2GRM1DRD2DRD3
SCHEMBL8710207 0.87 NSD2 (0.36) FGFR2NSD2GRM1DRD2DRD3
SCHEMBL8417988 0.86 FGFR2 (0.44) FGFR2NSD2GRM1MAOACYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0719256-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES Hoechst Schering AgrEvo GmbH (DE) 1996-07-03 EP disclosed
WO-1995007891-A1 SUBSTITUTED PYRIDINES, PROCESS FOR PRODUCING THEM AND THEIR USE AS PESTICIDES AND FUNGICIDES HOECHST SCHERING AGREVO GMBH (DE) 1995-03-23 WO disclosed