SCHEMBL19860042

SCHEMBL19860042

COc1ccc(CNCC(=O)Nc2ccc3cnccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ROCK2 O75116 5/20 0.57
PRMT3 O60678 3/20 0.53
IMPDH2 P12268 2/20 0.53
ALDH1A1 P00352 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
NOTUM Q6P988 4/20 0.52
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL14136014 0.89 LMNA (0.67) MEN1KMT2AROCK2PRMT3IMPDH2
SCHEMBL14124377 0.89 PRMT3 (0.51) MEN1KMT2AROCK2PRMT3IMPDH2
SCHEMBL19860124 0.88 IMPDH2 (0.59) PRMT3IMPDH2ALDH1A1NOTUMKDM4E
SCHEMBL2162395 0.88 ROCK2 (0.61) MEN1KMT2AROCK2PRMT3IMPDH2
SCHEMBL19860106 0.86 ROCK1 (0.57) MEN1KMT2AROCK2PRMT3IMPDH2
SCHEMBL19860093 0.86 ROCK2 (0.61) MEN1KMT2AROCK2PRMT3IMPDH2
SCHEMBL2162616 0.86 IMPDH2 (0.70) ROCK2PRMT3IMPDH2ALDH1A1NOTUM
SCHEMBL3593343 0.86 ACHE (0.61) ROCK2PRMT3IMPDH2NOTUM
SCHEMBL19860110 0.83 IMPDH2 (0.59) ROCK2PRMT3IMPDH2L3MBTL1NOTUM
SCHEMBL19860105 0.81 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