SCHEMBL9691024

SCHEMBL9691024

Cc1c(F)cccc1-c1nnc2c(C)ccnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 5/20 0.38
PDE10A Q9Y233 5/20 0.38
PDE6D O43924 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE6H Q13956 1/20 0.35
HSD11B1 P28845 1/20 0.33
DCTPP1 Q9H773 3/20 0.33
CYP17A1 P05093 3/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
IDO1 P14902 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31

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
SCHEMBL9690834 0.88 PDE2A (0.46) PDE2APDE10AHSD11B1DCTPP1POLB
SCHEMBL9689162 0.80 MAPT (0.47) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL9691055 0.76 HSD11B1 (0.45) PDE10AHSD11B1DCTPP1CYP17A1TP53
SCHEMBL27438824 0.72 DPP4 (0.38) CYP17A1TP53POLBMAPTGABRG2
SCHEMBL27351162 0.71 DPP4 (0.36) PDE2APDE10AHSD11B1
SCHEMBL1664963 0.71 SMN1; SMN2 (0.50) CYP17A1MAPTGABRA1GABRG2GABRB3
SCHEMBL9691041 0.71 RAB9A (0.36) PDE2AHSD11B1CYP17A1TP53POLB
SCHEMBL9691174 0.71 CYP17A1 (0.49) DCTPP1CYP17A1TP53POLBMAPT
SCHEMBL9689092 0.70 GABRA1 (0.37) PDE2APDE10APDE6DPDE6APDE6G
SCHEMBL9690728 0.68 RXFP1 (0.46) TP53POLBMAPTGABRA1GABRG2

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
EP-0483027-A2 Triazolopyridazines, methods for their preparation, their use as herbicides and intermediates RHONE-POULENC AGROCHIMIE (FR) 1992-04-29 EP disclosed