SCHEMBL28638185

SCHEMBL28638185

CC1(C)c2cc(NC(=O)C3CCCN3)ccc2-c2ccc(-c3ccc4[nH]c(C5CCCN5)nc4c3)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 2/20 0.44
▸ DHODH Q02127 3/20 0.42
▸ ULK1 O75385 1/20 0.41
▸ SCN3A Q9NY46 3/20 0.41
▸ SCN9A Q15858 3/20 0.41
▸ IKBKB O14920 2/20 0.41
▸ CHUK O15111 1/20 0.41
▸ SCN5A Q14524 1/20 0.40
▸ WNT1 P04628 2/20 0.39
▸ GSK3B P49841 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ AAK1 Q2M2I8 1/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.38
▸ PFKFB2 O60825 1/20 0.38
▸ PFKFB1 P16118 1/20 0.38
▸ PFKFB3 Q16875 1/20 0.38
▸ TERT O14746 1/20 0.37
▸ SUV39H2 Q9H5I1 1/20 0.37
▸ JAK2 O60674 1/20 0.36
▸ PDGFRB P09619 1/20 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
SCHEMBL18849736 1.00 PSMB8 (0.44) PSMB8DHODHULK1SCN3ASCN9A
SCHEMBL28638344 0.92 PSMB8 (0.44) PSMB8DHODHULK1SCN3ASCN9A
SCHEMBL18849682 0.92 PSMB8 (0.44) PSMB8DHODHULK1SCN3ASCN9A
SCHEMBL18849853 0.90 PSMB8 (0.35) PSMB8DHODHULK1SCN3ASCN9A
SCHEMBL28663020 0.89 PSMB8 (0.34) PSMB8DHODHULK1SCN3ASCN9A
SCHEMBL28663018 0.89 PSMB8 (0.34) PSMB8DHODHULK1SCN3ASCN9A
SCHEMBL18849672 0.89 PSMB8 (0.34) PSMB8DHODHULK1SCN3ASCN9A
SCHEMBL18849675 0.83 SCN3A (0.53) PSMB8DHODHULK1SCN3ASCN9A
SCHEMBL28926136 0.83 SCN3A (0.53) PSMB8DHODHULK1SCN3ASCN9A
SCHEMBL18849791 0.83 PSMB8 (0.35) PSMB8DHODHULK1SCN3ASCN9A

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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