SCHEMBL19860095

SCHEMBL19860095

O=C(CO)Nc1ccc2cnccc2c1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 4/20 0.62
PRMT3 O60678 4/20 0.61
NOTUM Q6P988 4/20 0.60
ROCK2 O75116 8/20 0.58
ROCK1 Q13464 3/20 0.58
MYLK4 Q86YV6 1/20 0.57

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
SCHEMBL2162755 0.86 NOTUM (0.62) IMPDH2PRMT3NOTUMROCK2ROCK1
SCHEMBL12201798 0.86 PRMT3 (0.64) IMPDH2PRMT3NOTUMROCK2ROCK1
SCHEMBL12201759 0.86 IMPDH2 (0.61) IMPDH2PRMT3NOTUMROCK2ROCK1
Hydrochloric Acid SCHEMBL2162309 0.85 IMPDH2 (0.59) IMPDH2PRMT3NOTUMROCK2ROCK1
SCHEMBL20262924 0.85 KDM4E (0.66) IMPDH2PRMT3NOTUMROCK2ROCK1
SCHEMBL30176801 0.85 KDM4E (0.66) IMPDH2PRMT3NOTUMROCK2ROCK1
Hydrochloric Acid SCHEMBL111600 0.85 PRMT3 (0.62) IMPDH2PRMT3NOTUMROCK2ROCK1
Hydrochloric Acid SCHEMBL3564762 0.85 IMPDH2 (0.59) IMPDH2PRMT3NOTUMROCK2ROCK1
SCHEMBL21430054 0.84 IMPDH2 (0.62) IMPDH2PRMT3NOTUMROCK2ROCK1
SCHEMBL16634909 0.84 PRMT3 (0.61) IMPDH2PRMT3NOTUM

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