SCHEMBL1663399

SCHEMBL1663399

COC(=O)c1nn2c(Br)cc(Br)cc2c1C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.40
▸ EGFR P00533 1/20 0.37
▸ MAPT P10636 5/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ CYP1A2 P05177 2/20 0.34
▸ NOTUM Q6P988 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RECQL P46063 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ F2 P00734 2/20 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
SCHEMBL29277951 0.87 KDM4E (0.39) ELANEEGFRMAPTALDH1A1NPSR1
SCHEMBL23905478 0.86 ELANE (0.38) ELANEEGFRMAPTALDH1A1NPSR1
SCHEMBL3686647 0.86 EGFR (0.40) ELANEEGFRMAPTALDH1A1NPSR1
SCHEMBL1662993 0.82 ALDH1A1 (0.47) ELANEEGFRMAPTALDH1A1CYP2C9
SCHEMBL1663705 0.81 SPR (0.34) ELANEEGFRMAPTALDH1A1NPSR1
SCHEMBL29277955 0.79 ELANE (0.38) ELANEEGFRMAPTALDH1A1NPSR1
SCHEMBL3686649 0.78 ELANE (0.39) ELANEEGFRMAPTALDH1A1NPSR1
SCHEMBL30230692 0.75 ELANE (0.44) ELANEMAPTALDH1A1NPSR1CYP2C9
SCHEMBL1663185 0.75 CA1 (0.33) ALDH1A1TSHR
SCHEMBL29155775 0.74 ELANE (0.34) ELANEEGFRMAPTALDH1A1NPSR1

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-2011050284-A1 PYRAZOLYLPYRIDINE ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2011-04-28 — — WO disclosed
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