SCHEMBL6510296

SCHEMBL6510296

CCON=Cc1c(F)cc(CCOc2cccc3[nH]c(C)nc23)cc1F

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.45
DRD4 P21917 2/20 0.45
DRD3 P35462 2/20 0.45
KDR P35968 7/20 0.37
CBFB Q13951 1/20 0.35
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
LMNA P02545 1/20 0.31
RET P07949 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
HTR1A P08908 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
GNRHR P30968 1/20 0.30
PARP1 P09874 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
SCHEMBL9529209 0.74 DRD2 (0.71) DRD2DRD4DRD3CBFBPARP1
SCHEMBL9528482 0.69 MEN1 (0.59) DRD2DRD4DRD3CBFBLMNA
SCHEMBL6510308 0.67 DRD2 (0.49) DRD2DRD4DRD3CBFBLMNA
SCHEMBL5144235 0.67 TSHR (0.38) EGFRERBB2LMNA
SCHEMBL5144233 0.67 TSHR (0.38) EGFRERBB2LMNA
SCHEMBL6503741 0.67 KDR (0.30) KDR
SCHEMBL13165012 0.67 DRD2 (0.60) DRD2DRD4DRD3CBFBLMNA
SCHEMBL5144221 0.66 SMN1; SMN2 (0.32) KDR
SCHEMBL5144218 0.66 SMN1; SMN2 (0.32) KDR
SCHEMBL7614912 0.64 DRD2 (0.48) DRD2DRD4DRD3CBFBLMNA

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-2005108374-A1 INSECTICIDAL DIAZOLE AND TRIAZOLE DERIVATIVES FMC CORPORATION (US) 2005-11-17 WO disclosed