SCHEMBL6268116

SCHEMBL6268116

COc1cc2nc(N(Cl)c3ccc(F)cc3)ncc2cc1OCCCN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 9/20 0.57
▸ EHMT1 Q9H9B1 6/20 0.57
▸ TLR7 Q9NYK1 9/20 0.53
▸ TLR9 Q9NR96 8/20 0.53
▸ SPIN1 Q9Y657 2/20 0.45
▸ DNMT1 P26358 1/20 0.45

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
SCHEMBL5618725 0.95 EHMT2 (0.51) EHMT2EHMT1TLR7TLR9
SCHEMBL3727488 0.92 EGFR (0.49) EHMT2EHMT1TLR7TLR9
SCHEMBL6266570 0.87 EGFR (0.46) EHMT2EHMT1
SCHEMBL6269488 0.84 EGFR (0.42) EHMT2EHMT1TLR7TLR9DNMT1
SCHEMBL6266311 0.82 EGFR (0.44) EHMT2EHMT1TLR7TLR9
SCHEMBL8438071 0.81 KDR (0.38) EHMT2EHMT1TLR7TLR9
SCHEMBL6266172 0.80 EGFR (0.46) —
SCHEMBL8444662 0.80 EPHA2 (0.44) EHMT2EHMT1TLR7TLR9
SCHEMBL8436900 0.80 EPHA2 (0.42) EHMT2EHMT1TLR7TLR9
SCHEMBL28962458 0.76 EPHA2 (0.45) —

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-2005048928-A2 METHODS FOR TREATING VIRAL INFECTION GEORGE MASON INTELLECTUAL PROPERTY (US) 2005-06-02 — — WO disclosed
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