SCHEMBL18849645

SCHEMBL18849645

O=C(Nc1ccc2c(c1)C(F)(F)c1cc(-c3ccc4[nH]c([C@@H]5CCCN5)nc4c3)ccc1-2)[C@@H]1C[C@@H]2CCCC[C@@H]2N1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PSMB8 P28062 2/20 0.34
▸ ULK1 O75385 1/20 0.33
▸ DHODH Q02127 3/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ CHUK O15111 1/20 0.32
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ CTSC P53634 2/20 0.32
▸ SCN3A Q9NY46 2/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ PARP1 P09874 5/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ PDPK1 O15530 1/20 0.30
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 1/20 0.30

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
SCHEMBL18849829 1.00 PSMB8 (0.34) PSMB8ULK1DHODHIKBKBCHUK
SCHEMBL28641202 1.00 PSMB8 (0.34) PSMB8ULK1DHODHIKBKBCHUK
SCHEMBL28641205 1.00 PSMB8 (0.34) PSMB8ULK1DHODHIKBKBCHUK
SCHEMBL18849672 0.93 PSMB8 (0.34) PSMB8ULK1DHODHIKBKBCHUK
SCHEMBL28663018 0.93 PSMB8 (0.34) PSMB8ULK1DHODHIKBKBCHUK
SCHEMBL28663020 0.93 PSMB8 (0.34) PSMB8ULK1DHODHIKBKBCHUK
SCHEMBL18849646 0.93 MAOA (0.34) ULK1DHODHCTSCPARP1CYP2D6
SCHEMBL18849742 0.93 MAOA (0.34) ULK1DHODHCTSCPARP1CYP2D6
SCHEMBL18849744 0.93 MAOA (0.34) ULK1DHODHCTSCPARP1CYP2D6
SCHEMBL28638344 0.89 PSMB8 (0.44) PSMB8ULK1DHODHIKBKBCHUK

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-2017076201-A1 HCV INHIBITORS, PREPARATION METHOD AND USE THEREOF 江苏豪森药业集团有限公司 2017-05-11 — — WO disclosed
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