SCHEMBL19860066

SCHEMBL19860066

O=C(CCc1cccc(C(=O)NCc2ccccc2)c1)Nc1ccc2cnccc2c1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 2/20 0.65
SENP1 Q9P0U3 4/20 0.58
PRMT3 O60678 1/20 0.57
PPARG P37231 1/20 0.51
NAMPT P43490 1/20 0.51
NPY5R Q15761 1/20 0.48
LMNA P02545 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
ROCK1 Q13464 1/20 0.48
NOTUM Q6P988 4/20 0.48
PLAU P00749 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 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
SCHEMBL19860064 0.87 PRMT3 (0.54) IMPDH2PRMT3NPY5RLMNAROCK1
SCHEMBL3566775 0.85 PRMT3 (0.72) IMPDH2PRMT3NPY5RLMNAROCK1
SCHEMBL19860067 0.84 PRMT3 (0.54) IMPDH2PRMT3ROCK1NOTUMPLAU
SCHEMBL2164137 0.83 PRMT3 (0.69) IMPDH2PRMT3NAMPTNPY5RLMNA
SCHEMBL19860062 0.82 ALDH1A1 (0.61) IMPDH2PRMT3LMNANOTUMMAPT
SCHEMBL21900830 0.81 NAMPT (0.71) IMPDH2NAMPTLMNAHDAC3HDAC1
SCHEMBL19860123 0.80 IMPDH2 (0.71) IMPDH2PRMT3ROCK1NOTUM
SCHEMBL2162998 0.79 IMPDH2 (1.00) IMPDH2PRMT3NAMPTROCK1
SCHEMBL14124401 0.79 IMPDH2 (0.61) IMPDH2PRMT3NAMPTNPY5RLMNA
SCHEMBL22752080 0.79 JAK2 (0.59) IMPDH2PRMT3ROCK1

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