SCHEMBL19860067

SCHEMBL19860067

NC(=O)c1cccc(CCC(=O)Nc2ccc3cnccc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 2/20 0.54
IMPDH2 P12268 3/20 0.53
NOTUM Q6P988 4/20 0.52
SIRT2 Q8IXJ6 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
SIRT3 Q9NTG7 1/20 0.52
ROCK2 O75116 6/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
ROCK1 Q13464 4/20 0.49
PLAU P00749 1/20 0.49

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
SCHEMBL19860062 0.87 ALDH1A1 (0.61) PRMT3IMPDH2NOTUMROCK2
SCHEMBL19860064 0.87 PRMT3 (0.54) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL3566775 0.85 PRMT3 (0.72) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL19860066 0.84 IMPDH2 (0.65) PRMT3IMPDH2NOTUMROCK1PLAU
SCHEMBL2164137 0.82 PRMT3 (0.69) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL12228149 0.82 NOTUM (0.72) IMPDH2NOTUMROCK2MEN1KMT2A
SCHEMBL3592528 0.82 GRK2 (0.54) PRMT3IMPDH2NOTUMROCK2MEN1
SCHEMBL19860091 0.81 ROCK2 (0.60) PRMT3IMPDH2NOTUMROCK2
SCHEMBL19860089 0.81 ROCK2 (0.55) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL19860079 0.81 ALDH1A1 (0.61) PRMT3IMPDH2NOTUMROCK2ROCK1

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-9890123-B2 6-aminoisoquinoline compounds AERIE PHARMACEUTICALS, INC. (US) 2018-02-13 US disclosed