SCHEMBL19860122

SCHEMBL19860122

O=C(CCNCc1ccc(Cl)cc1)Nc1ccc2cnccc2c1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.56
NOTUM Q6P988 4/20 0.54
ROCK2 O75116 4/20 0.54
PRMT3 O60678 7/20 0.54
RHOC P08134 1/20 0.52
RHOA P61586 1/20 0.52
TRPV1 Q8NER1 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
SCHEMBL19860123 0.89 IMPDH2 (0.71) IMPDH2NOTUMROCK2PRMT3
SCHEMBL20353462 0.84 IMPDH2 (0.78) IMPDH2ROCK2PRMT3TRPV1
SCHEMBL19860121 0.83 IMPDH2 (0.58) IMPDH2NOTUMROCK2PRMT3
SCHEMBL20353576 0.79 IMPDH2 (0.76) IMPDH2NOTUMROCK2PRMT3
SCHEMBL19860124 0.79 IMPDH2 (0.59) IMPDH2NOTUMPRMT3
SCHEMBL2162755 0.78 NOTUM (0.62) IMPDH2NOTUMROCK2PRMT3
SCHEMBL19860106 0.77 ROCK1 (0.57) IMPDH2NOTUMROCK2PRMT3
SCHEMBL16056718 0.77 ROCK2 (0.56) IMPDH2NOTUMROCK2PRMT3
SCHEMBL19860103 0.77 NOTUM (0.56) IMPDH2NOTUMROCK2PRMT3
SCHEMBL2163047 0.77 NOTUM (0.65) IMPDH2NOTUMROCK2PRMT3

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