SCHEMBL28926136

SCHEMBL28926136

CC1(C)c2cc(NC(=O)C3CCCN3)ccc2-c2ccc(-c3ccc(-c4cnc(C5CCCN5)[nH]4)cc3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN3A Q9NY46 3/20 0.53
▸ SCN9A Q15858 2/20 0.53
▸ AAK1 Q2M2I8 2/20 0.42
▸ DHODH Q02127 2/20 0.41
▸ WNT1 P04628 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ PSMB8 P28062 2/20 0.40
▸ IKBKB O14920 2/20 0.39
▸ CHUK O15111 1/20 0.39
▸ SCN5A Q14524 1/20 0.38
▸ TERT O14746 1/20 0.37
▸ ULK1 O75385 1/20 0.37
▸ PFKFB2 O60825 2/20 0.37
▸ PFKFB1 P16118 2/20 0.37
▸ PFKFB3 Q16875 2/20 0.37
▸ SUV39H2 Q9H5I1 1/20 0.37
▸ JAK2 O60674 2/20 0.36
▸ PDGFRB P09619 2/20 0.36
▸ FLT3 P36888 2/20 0.36

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
SCHEMBL18849675 1.00 SCN3A (0.53) SCN3ASCN9AAAK1DHODHWNT1
SCHEMBL28647731 0.92 SCN3A (0.53) SCN3ASCN9AAAK1DHODHWNT1
SCHEMBL18849650 0.92 SCN3A (0.53) SCN3ASCN9AAAK1DHODHWNT1
SCHEMBL18849782 0.90 SCN3A (0.42) SCN3ASCN9AAAK1DHODHWNT1
SCHEMBL18849641 0.90 SCN3A (0.42) SCN3ASCN9AAAK1DHODHWNT1
SCHEMBL18849750 0.88 SCN3A (0.56) SCN3ASCN9AAAK1DHODHWNT1
SCHEMBL28651738 0.88 SCN3A (0.56) SCN3ASCN9AAAK1DHODHWNT1
SCHEMBL205890 0.86 SCN3A (0.70) SCN3ASCN9AAAK1DHODHWNT1
SCHEMBL2709126 0.86 SCN3A (0.70) SCN3ASCN9AAAK1DHODHWNT1
SCHEMBL204893 0.84 SCN3A (0.57) SCN3ASCN9AAAK1DHODHWNT1

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
CN-108349945-B HCV inhibitor, preparation method and application thereof 江苏豪森药业集团有限公司 2021-10-29 — — CN disclosed
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