SCHEMBL19860119

SCHEMBL19860119

O=C(CNCCc1ccccc1F)Nc1ccc2cnccc2c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.53
PRMT3 O60678 4/20 0.52
IMPDH2 P12268 3/20 0.51
NOTUM Q6P988 4/20 0.50
ROCK1 Q13464 3/20 0.46

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
SCHEMBL19860090 0.88 ROCK2 (0.57) ROCK2PRMT3IMPDH2NOTUMROCK1
SCHEMBL19860125 0.84 PRMT3 (0.71) ROCK2PRMT3IMPDH2NOTUMROCK1
SCHEMBL19860126 0.81 PRMT3 (0.65) ROCK2PRMT3IMPDH2NOTUMROCK1
SCHEMBL19860118 0.80 NOTUM (0.54) ROCK2PRMT3IMPDH2NOTUM
SCHEMBL19860043 0.78 NOTUM (0.63) ROCK2PRMT3IMPDH2NOTUM
SCHEMBL2162616 0.78 IMPDH2 (0.70) ROCK2PRMT3IMPDH2NOTUMROCK1
SCHEMBL19860105 0.77 PRMT3 (0.62) PRMT3IMPDH2NOTUM
SCHEMBL3598434 0.76 IMPDH2 (0.69) ROCK2PRMT3IMPDH2NOTUMROCK1
SCHEMBL19860106 0.76 ROCK1 (0.57) ROCK2PRMT3IMPDH2NOTUMROCK1
SCHEMBL14124375 0.75 ROCK1 (0.59) ROCK2PRMT3IMPDH2NOTUMROCK1

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