SCHEMBL19860109

SCHEMBL19860109

O=C(CNCc1ccsc1)Nc1ccc2cnccc2c1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 12/20 0.50
IMPDH2 P12268 3/20 0.50
NOTUM Q6P988 4/20 0.47
TNIK Q9UKE5 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
SCHEMBL19860124 0.86 IMPDH2 (0.59) PRMT3IMPDH2NOTUM
SCHEMBL2162616 0.84 IMPDH2 (0.70) PRMT3IMPDH2NOTUM
SCHEMBL19860110 0.83 IMPDH2 (0.59) PRMT3IMPDH2NOTUM
SCHEMBL14979824 0.82 PRMT3 (0.48) PRMT3IMPDH2NOTUMTNIK
SCHEMBL19860106 0.82 ROCK1 (0.57) PRMT3IMPDH2NOTUM
SCHEMBL19860042 0.80 MEN1 (0.60) PRMT3IMPDH2NOTUM
SCHEMBL19860108 0.80 MEN1 (0.54) PRMT3IMPDH2NOTUM
SCHEMBL14124375 0.79 ROCK1 (0.59) PRMT3IMPDH2NOTUM
SCHEMBL2163047 0.79 NOTUM (0.65) PRMT3IMPDH2NOTUM
SCHEMBL19860105 0.78 PRMT3 (0.62) PRMT3IMPDH2NOTUM

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