SCHEMBL19860064

SCHEMBL19860064

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

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 3/20 0.54
NOTUM Q6P988 5/20 0.53
IMPDH2 P12268 5/20 0.51
ROCK2 O75116 4/20 0.50
NPY5R Q15761 1/20 0.46
ROCK1 Q13464 1/20 0.45
LMNA P02545 1/20 0.45

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) PRMT3NOTUMIMPDH2ROCK2LMNA
SCHEMBL19860067 0.87 PRMT3 (0.54) PRMT3NOTUMIMPDH2ROCK2ROCK1
SCHEMBL19860040 0.87 PRMT3 (0.53) PRMT3NOTUMIMPDH2ROCK2ROCK1
SCHEMBL19860066 0.87 IMPDH2 (0.65) PRMT3NOTUMIMPDH2NPY5RROCK1
SCHEMBL20353460 0.84 IMPDH2 (0.71) PRMT3IMPDH2ROCK2
SCHEMBL3598327 0.83 PRMT3 (0.56) PRMT3NOTUMIMPDH2ROCK2
SCHEMBL3566775 0.83 PRMT3 (0.72) PRMT3NOTUMIMPDH2ROCK2NPY5R
SCHEMBL16684130 0.82 PRMT3 (0.44) PRMT3NOTUMIMPDH2ROCK2ROCK1
SCHEMBL19860079 0.82 ALDH1A1 (0.61) PRMT3NOTUMIMPDH2ROCK2ROCK1
SCHEMBL2164137 0.81 PRMT3 (0.69) PRMT3NOTUMIMPDH2ROCK2NPY5R

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