SCHEMBL19860106

SCHEMBL19860106

O=C(CNCc1ccc(F)cc1)Nc1ccc2cnccc2c1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.57
ROCK2 O75116 3/20 0.56
IMPDH2 P12268 3/20 0.55
PRMT3 O60678 6/20 0.52
NOTUM Q6P988 4/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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 0.90 IMPDH2 (0.59) IMPDH2PRMT3NOTUM
SCHEMBL2162616 0.88 IMPDH2 (0.70) ROCK1ROCK2IMPDH2PRMT3NOTUM
SCHEMBL14124375 0.88 ROCK1 (0.59) ROCK1ROCK2IMPDH2PRMT3NOTUM
SCHEMBL19860042 0.86 MEN1 (0.60) ROCK2IMPDH2PRMT3NOTUMMEN1
SCHEMBL14625937 0.85 ROCK2 (0.60) ROCK1ROCK2IMPDH2PRMT3NOTUM
SCHEMBL19860065 0.85 ROCK1 (0.61) ROCK1ROCK2IMPDH2PRMT3NOTUM
SCHEMBL19860110 0.85 IMPDH2 (0.59) ROCK1ROCK2IMPDH2PRMT3NOTUM
SCHEMBL14136014 0.84 LMNA (0.67) ROCK2IMPDH2PRMT3NOTUMMEN1
SCHEMBL14124377 0.84 PRMT3 (0.51) ROCK2IMPDH2PRMT3NOTUMMEN1
SCHEMBL19860082 0.84 ROCK1 (0.60) ROCK1ROCK2IMPDH2PRMT3NOTUM

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