SCHEMBL19860104

SCHEMBL19860104

O=C(CNCN1CCOCC1)Nc1ccc2cnccc2c1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 14/20 0.52
NOTUM Q6P988 4/20 0.49
IMPDH2 P12268 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
SCHEMBL2162496 0.87 ALDH1A1 (0.58)
SCHEMBL19860105 0.78 PRMT3 (0.62) PRMT3NOTUMIMPDH2
SCHEMBL19860085 0.76 TERT (0.64) PRMT3IMPDH2
SCHEMBL19860124 0.76 IMPDH2 (0.59) PRMT3NOTUMIMPDH2
SCHEMBL19860074 0.75 TERT (0.63) PRMT3IMPDH2
SCHEMBL14642082 0.75 ROCK2 (0.52) PRMT3IMPDH2
SCHEMBL25005902 0.74 POLB (0.54)
SCHEMBL2162616 0.74 IMPDH2 (0.70) PRMT3NOTUMIMPDH2
SCHEMBL19860095 0.74 IMPDH2 (0.62) PRMT3NOTUMIMPDH2
SCHEMBL19860084 0.74 IMPDH2 (0.55) PRMT3NOTUMIMPDH2

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