SCHEMBL9564266

SCHEMBL9564266

[c]1ccccc1OCc1cnc2ccccc2n1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 1/20 0.46
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
BCHE P06276 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36

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
SCHEMBL2570374 0.83 CYSLTR1 (0.59) PDE10ACYSLTR2CYSLTR1
SCHEMBL19579777 0.75 HTT (0.57) PDE10AMEN1KMT2AMAPTCYP1A2
SCHEMBL3515049 0.75 SMN1; SMN2 (0.45) MAPTCYP1A2CYP2C9ALDH1A1
SCHEMBL5756958 0.74 GABRA1 (0.39) MEN1KMT2ACYP1A2CYP2C9ALDH1A1
SCHEMBL5757410 0.74 ABCB1 (0.33) ALDH1A1
SCHEMBL5755405 0.72 KCNH2 (0.30)
SCHEMBL15389972 0.72 AURKA (0.37) MAPT
SCHEMBL16421411 0.72 PDE10A (0.64) PDE10AMEN1KMT2AMAPTCYP1A2
SCHEMBL27613190 0.72 PDE10A (0.64) PDE10AMEN1KMT2AMAPTCYP1A2
SCHEMBL5758916 0.71 GABRA1 (0.40) CYP1A2GABRA1GABRG2GABRB3GABRA5

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-0574774-A1 Substituted benzothiazolyl- and quinoxalyl methoxy-phenyl acetic acid derivatives BAYER AG (DE) 1993-12-22 EP disclosed