SCHEMBL204893

SCHEMBL204893

O=C(Nc1cccc(-c2ccc(-c3cnc(C4CCCN4)[nH]3)cc2)c1)C1CCCN1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 2/20 0.57
▸ SCN9A Q15858 2/20 0.57
▸ DHODH Q02127 2/20 0.44
▸ PSMB8 P28062 2/20 0.42
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ ITGA2B P08514 1/20 0.42
▸ WNT1 P04628 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ ULK1 O75385 1/20 0.40
▸ F10 P00742 2/20 0.39
▸ IKBKB O14920 1/20 0.39
▸ CHUK O15111 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ AAK1 Q2M2I8 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ KHK P50053 1/20 0.38
▸ KISS1R Q969F8 1/20 0.38

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
SCHEMBL2709439 1.00 SCN3A (0.57) SCN3ASCN9ADHODHPSMB8ITGB3
SCHEMBL2709126 0.90 SCN3A (0.70) SCN3ASCN9ADHODHPSMB8WNT1
SCHEMBL205890 0.90 SCN3A (0.70) SCN3ASCN9ADHODHPSMB8WNT1
SCHEMBL15586493 0.88 SCN3A (0.49) SCN3ASCN9ADHODHPSMB8ITGB3
SCHEMBL18849750 0.87 SCN3A (0.56) SCN3ASCN9ADHODHPSMB8WNT1
SCHEMBL28651738 0.87 SCN3A (0.56) SCN3ASCN9ADHODHPSMB8WNT1
SCHEMBL15692991 0.87 SCN3A (0.48) SCN3ASCN9ADHODHPSMB8ITGB3
SCHEMBL10222792 0.84 SCN3A (0.57) SCN3ASCN9ADHODHPSMB8WNT1
SCHEMBL18849650 0.84 SCN3A (0.53) SCN3ASCN9ADHODHPSMB8WNT1
SCHEMBL18849675 0.84 SCN3A (0.53) SCN3ASCN9ADHODHPSMB8WNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430014-A1 ANTIVIRAL COMPOUNDS Gilead Sciences, Inc. (US) 2012-03-21 — — EP disclosed
US-8088368-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2012-01-03 — — US disclosed
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