SCHEMBL1159554

SCHEMBL1159554

N#Cc1ccccc1-c1nnc2cccnn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 4/20 0.38
GABRB3 P28472 4/20 0.38
GABRA1 P14867 3/20 0.38
GABRA2 P47869 3/20 0.38
MET P08581 1/20 0.38
ESR2 Q92731 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
HIF1A Q16665 1/20 0.35
KDM4D Q6B0I6 1/20 0.35
TSHR P16473 1/20 0.34
PDE4A P27815 7/20 0.34
PDE4B Q07343 7/20 0.34
PDE4C Q08493 7/20 0.34
PDE4D Q08499 7/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL968707 0.78 HSD11B1 (0.38) GABRG2GABRB3GABRA1GABRA2PDE4B
SCHEMBL1042919 0.76 DCTPP1 (0.44) GABRG2GABRB3GABRA1GABRA2GABRA5
SCHEMBL30955913 0.72 MKNK1 (0.35) KDM4DPDE4APDE4BPDE4CPDE4D
SCHEMBL2750732 0.72 BRD4 (0.54) SMN1; SMN2TSHRALDH1A1LMNAHPGD
SCHEMBL4089296 0.70 SLC6A2 (0.36) GABRG2GABRB3GABRA1METESR2
SCHEMBL5801474 0.67 MKNK1 (0.53) SMN1; SMN2TSHRALDH1A1HPGDMAPK1
SCHEMBL16417549 0.65 SMN1; SMN2 (0.41) GABRG2GABRB3GABRA1GABRA2SMN1; SMN2
SCHEMBL29412287 0.65 ESR2 (0.60) GABRG2GABRB3ESR2GABRA5GABRA3
SCHEMBL222 0.65 ESR2 (0.60) GABRG2GABRB3ESR2GABRA5GABRA3
SCHEMBL10809503 0.65 MET (0.48) GABRG2GABRB3METESR2SMN1; SMN2

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-2011014462-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD PALO ALTO, INC. (US) 2011-02-03 WO disclosed