SCHEMBL9719796

SCHEMBL9719796

CN(C)c1ccc(OCc2ccccn2)c(Cl)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SYK P43405 12/20 0.48
AURKB Q96GD4 4/20 0.46
INCENP Q9NQS7 4/20 0.46
SLC6A4 P31645 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ABCB1 P08183 1/20 0.43
HTR1A P08908 1/20 0.43
DRD2 P14416 1/20 0.43
EGFR P00533 1/20 0.42
ERBB2 P04626 1/20 0.42
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
TP53 P04637 1/20 0.40
CTSV O60911 1/20 0.40

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
SCHEMBL8689284 0.80 SYK (0.54) SYKAURKBINCENPALDH1A1ABCB1
SCHEMBL9719880 0.78 SYK (0.58) SYKAURKBINCENPSLC6A4USP2
SCHEMBL9719890 0.77 SYK (0.48) SYKAURKBINCENPSLC6A4USP2
SCHEMBL19089277 0.76 SYK (0.53) SYKAURKBINCENPSLC6A4EGFR
SCHEMBL27299165 0.74 SYK (0.49) SYKAURKBINCENPSLC6A4ABCB1
SCHEMBL30853451 0.72 SYK (0.67) SYKAURKBINCENPSLC6A4ABCB1
SCHEMBL4342702 0.72 SYK (0.67) SYKAURKBINCENPSLC6A4ABCB1
SCHEMBL27096930 0.71 SYK (0.55) SYKAURKBINCENPSLC6A4ABCB1
SCHEMBL30729929 0.71 SYK (0.55) SYKAURKBINCENPSLC6A4ABCB1
SCHEMBL9719877 0.71 CYP1A2 (0.53) SYKAURKBINCENPSLC6A4USP2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5157039-A Lipoxygenase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-10-20 US disclosed
US-5109009-A QUINOLINE AND PYRIDINE COMPOUNDS AND INHIBITION OF 5-LIPOXYGENASES THEREWITH LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1992-04-28 US disclosed
US-4826987-A Pyridyl and quinoline derivatives LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1989-05-02 US disclosed