SCHEMBL19860120

SCHEMBL19860120

COC(=O)c1cccc(CCNCC(=O)Nc2ccc3cnccc3c2)c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 5/20 0.53
NOTUM Q6P988 5/20 0.51
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
IMPDH2 P12268 3/20 0.47
ROCK2 O75116 4/20 0.47
KDM4E B2RXH2 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 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
SCHEMBL19860062 0.89 ALDH1A1 (0.61) PRMT3NOTUMALDH1A1HPGDIMPDH2
SCHEMBL19860125 0.85 PRMT3 (0.71) PRMT3NOTUMIMPDH2ROCK2
SCHEMBL3587855 0.83 NOTUM (0.55) PRMT3NOTUMALDH1A1HPGDIMPDH2
SCHEMBL14136014 0.81 LMNA (0.67) PRMT3NOTUMALDH1A1HPGDIMPDH2
SCHEMBL19860126 0.79 PRMT3 (0.65) PRMT3NOTUMIMPDH2ROCK2
SCHEMBL19860040 0.78 PRMT3 (0.53) PRMT3NOTUMIMPDH2ROCK2
SCHEMBL2162395 0.78 ROCK2 (0.61) PRMT3NOTUMIMPDH2ROCK2KDM4E
SCHEMBL19860064 0.77 PRMT3 (0.54) PRMT3NOTUMIMPDH2ROCK2
SCHEMBL19860067 0.77 PRMT3 (0.54) PRMT3NOTUMIMPDH2ROCK2
SCHEMBL2162616 0.76 IMPDH2 (0.70) PRMT3NOTUMALDH1A1IMPDH2ROCK2

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