SCHEMBL19860043

SCHEMBL19860043

O=C(CNCc1ccccc1Cl)Nc1ccc2cnccc2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.63
IMPDH2 P12268 5/20 0.56
ROCK2 O75116 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
ALDH1A1 P00352 1/20 0.54
RAB9A P51151 1/20 0.54
PRMT3 O60678 6/20 0.53
CLK2 P49760 1/20 0.50
PRKX P51817 1/20 0.50
CAMK2D Q13557 1/20 0.50
PKN2 Q16513 1/20 0.50
CLK4 Q9HAZ1 1/20 0.50
STK17A Q9UEE5 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
SCHEMBL19860103 0.88 NOTUM (0.56) NOTUMIMPDH2ROCK2PRMT3
SCHEMBL20353587 0.85 IMPDH2 (0.72) NOTUMIMPDH2ROCK2PRMT3
SCHEMBL2162616 0.84 IMPDH2 (0.70) NOTUMIMPDH2ROCK2KDM4EALDH1A1
SCHEMBL2163047 0.81 NOTUM (0.65) NOTUMIMPDH2ROCK2NPC1PRMT3
SCHEMBL19860124 0.81 IMPDH2 (0.59) NOTUMIMPDH2KDM4EALDH1A1PRMT3
SCHEMBL19860111 0.81 NOTUM (0.55) NOTUMIMPDH2ROCK2KDM4EALDH1A1
SCHEMBL19860110 0.81 IMPDH2 (0.59) NOTUMIMPDH2ROCK2PRMT3
SCHEMBL14124390 0.79 NOTUM (0.61) NOTUMIMPDH2ROCK2ALDH1A1PRMT3
SCHEMBL19860105 0.78 PRMT3 (0.62) NOTUMIMPDH2PRMT3
SCHEMBL19860119 0.78 ROCK2 (0.53) NOTUMIMPDH2ROCK2PRMT3

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