SCHEMBL18499298

SCHEMBL18499298

Cc1c(Cl)cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)cc1Cl

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 8/20 0.72
PSEN1 P49768 3/20 0.65
PSEN2 P49810 3/20 0.65
APH1B Q8WW43 3/20 0.65
NCSTN Q92542 3/20 0.65
APH1A Q96BI3 3/20 0.65
PSENEN Q9NZ42 3/20 0.65
ERBB2 P04626 3/20 0.64
PDGFRB P09619 2/20 0.64
EGFR P00533 2/20 0.64
RET P07949 1/20 0.61
IDO1 P14902 1/20 0.57
TDO2 P48775 1/20 0.57
TGM2 P21980 1/20 0.57
RPS6KA3 P51812 1/20 0.55

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
SCHEMBL1395411 0.86 LRRK2 (0.76) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL1395409 0.86 LRRK2 (0.76) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5468623 0.84 LRRK2 (0.71) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5474728 0.84 LRRK2 (0.75) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5468627 0.84 LRRK2 (0.71) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3804991 0.84 LRRK2 (0.75) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL3749415 0.84 LRRK2 (0.74) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5474727 0.84 LRRK2 (0.75) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5477805 0.84 LRRK2 (0.83) LRRK2PSEN1PSEN2APH1BNCSTN
SCHEMBL5477806 0.84 LRRK2 (0.83) LRRK2PSEN1PSEN2APH1BNCSTN

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
US-9567305-B2 Quinoxaline compounds and derivatives SOUTHERN METHODIST UNIVERSITY (US) 2017-02-14 US disclosed