SCHEMBL19860083

SCHEMBL19860083

CSc1ccc(CCC(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 4/20 0.53
IMPDH2 P12268 5/20 0.51
NOTUM Q6P988 4/20 0.51
ROCK2 O75116 5/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ROCK1 Q13464 1/20 0.47
MYLK4 Q86YV6 1/20 0.47

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
SCHEMBL3603765 0.85 PRMT3 (0.56) PRMT3IMPDH2NOTUMMEN1KMT2A
SCHEMBL2164137 0.84 PRMT3 (0.69) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL19860082 0.84 ROCK1 (0.60) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL3566775 0.84 PRMT3 (0.72) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL16634909 0.80 PRMT3 (0.61) PRMT3IMPDH2NOTUM
SCHEMBL14124401 0.79 IMPDH2 (0.61) PRMT3IMPDH2NOTUMROCK2MEN1
SCHEMBL2162460 0.78 KMT2A (0.67) ROCK2MEN1KMT2A
SCHEMBL14124382 0.78 JAK2 (0.57) PRMT3ROCK2MEN1KMT2AROCK1
SCHEMBL14124306 0.78 PRMT3 (0.66) PRMT3IMPDH2NOTUMROCK2ROCK1
SCHEMBL18092568 0.78 ROCK2 (0.59) 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