SCHEMBL18596118

SCHEMBL18596118

CC(C)c1ccc2[nH]c(C3CCCN3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.55
PARP1 P09874 5/20 0.44
TAAR1 Q96RJ0 2/20 0.41
CDC7 O00311 11/20 0.39
CCNE1 P24864 7/20 0.39
CDK2 P24941 7/20 0.39
ROCK1 Q13464 7/20 0.39
DBF4 Q9UBU7 7/20 0.39
PIM1 P11309 4/20 0.36
CSNK2B P67870 4/20 0.36
CSNK2A1 P68400 4/20 0.36
DYRK1A Q13627 3/20 0.36
CCNC P24863 2/20 0.36
CDK8 P49336 2/20 0.36
CLK1 P49759 2/20 0.36
DAPK1 P53355 2/20 0.36
DMPK Q09013 2/20 0.36
HIPK4 Q8NE63 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
CDK3 Q00526 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
SCHEMBL19488467 0.82 SCN10A (0.59) SCN10APARP1TAAR1CDC7CCNE1
SCHEMBL12684295 0.82 SCN10A (0.59) SCN10APARP1TAAR1CDC7CCNE1
SCHEMBL12509313 0.82 SCN10A (0.58) SCN10APARP1TAAR1CDC7CCNE1
SCHEMBL9605019 0.81 SCN10A (0.56) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL1645792 0.81 SCN10A (0.56) SCN10APARP1CDC7CCNE1CDK2
Hydrochloric Acid SCHEMBL1646698 0.80 SCN10A (0.55) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL13394515 0.80 NPC1 (0.56) CYP1A2
SCHEMBL12098830 0.80 SCN10A (0.55) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL12332890 0.80 SCN10A (0.55) SCN10APARP1CDC7CCNE1CDK2
SCHEMBL15452944 0.80 SCN10A (0.55) SCN10APARP1CDC7CCNE1CDK2

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
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed