SCHEMBL19860118

SCHEMBL19860118

O=C(CNCCc1ccc(Cl)cc1Cl)Nc1ccc2cnccc2c1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.54
ROCK2 O75116 6/20 0.53
TAAR1 Q96RJ0 1/20 0.50
PRMT3 O60678 4/20 0.47
GALR3 O60755 1/20 0.47
NR2F2 P24468 1/20 0.47
CNR1 P21554 1/20 0.46
PLA2G1B P04054 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
IMPDH2 P12268 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
SCHEMBL19860103 0.89 NOTUM (0.56) NOTUMROCK2PRMT3GALR3NR2F2
SCHEMBL19860119 0.80 ROCK2 (0.53) NOTUMROCK2PRMT3IMPDH2
SCHEMBL19860125 0.79 PRMT3 (0.71) NOTUMROCK2PRMT3IMPDH2
SCHEMBL19860043 0.78 NOTUM (0.63) NOTUMROCK2PRMT3IMPDH2
SCHEMBL2163047 0.77 NOTUM (0.65) NOTUMROCK2PRMT3IMPDH2
SCHEMBL19860105 0.76 PRMT3 (0.62) NOTUMPRMT3IMPDH2
SCHEMBL2162755 0.75 NOTUM (0.62) NOTUMROCK2PRMT3IMPDH2
SCHEMBL19860126 0.75 PRMT3 (0.65) NOTUMROCK2PRMT3IMPDH2
SCHEMBL3586006 0.75 NOTUM (0.69) NOTUMROCK2PRMT3IMPDH2
SCHEMBL19860124 0.74 IMPDH2 (0.59) NOTUMPRMT3IMPDH2

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