SCHEMBL19860125

SCHEMBL19860125

O=C(CNCCc1ccccc1)Nc1ccc2cnccc2c1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 2/20 0.71
IMPDH2 P12268 3/20 0.61
NOTUM Q6P988 4/20 0.54
ROCK1 Q13464 4/20 0.53
ROCK2 O75116 7/20 0.52
HDAC1 Q13547 1/20 0.51
HDAC2 Q92769 1/20 0.51
LMNA P02545 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
SCHEMBL19860126 0.93 PRMT3 (0.65) PRMT3IMPDH2NOTUMROCK1ROCK2
SCHEMBL2162616 0.88 IMPDH2 (0.70) PRMT3IMPDH2NOTUMROCK1ROCK2
SCHEMBL3566775 0.87 PRMT3 (0.72) PRMT3IMPDH2NOTUMROCK1ROCK2
SCHEMBL19860120 0.85 PRMT3 (0.53) PRMT3IMPDH2NOTUMROCK2
SCHEMBL19860119 0.84 ROCK2 (0.53) PRMT3IMPDH2NOTUMROCK1ROCK2
SCHEMBL2164137 0.84 PRMT3 (0.69) PRMT3IMPDH2NOTUMROCK1ROCK2
SCHEMBL24735962 0.83 IMPDH2 (0.69) PRMT3IMPDH2NOTUMROCK1ROCK2
SCHEMBL14124306 0.82 PRMT3 (0.66) PRMT3IMPDH2NOTUMROCK1ROCK2
SCHEMBL19860110 0.82 IMPDH2 (0.59) PRMT3IMPDH2NOTUMROCK1ROCK2
SCHEMBL3598434 0.82 IMPDH2 (0.69) PRMT3IMPDH2NOTUMROCK1ROCK2

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