SCHEMBL19860096

SCHEMBL19860096

CCOCC(=O)Nc1ccc2cnccc2c1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 5/20 0.65
PRMT3 O60678 4/20 0.57
IMPDH2 P12268 3/20 0.56
HPGD P15428 5/20 0.56
TSHR P16473 1/20 0.56
NAMPT P43490 1/20 0.55
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 2/20 0.53
RAB9A P51151 2/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51

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
SCHEMBL19860094 0.86 NOTUM (0.68) NOTUMPRMT3IMPDH2
SCHEMBL12201798 0.85 PRMT3 (0.64) NOTUMPRMT3IMPDH2
SCHEMBL19860100 0.84 NOTUM (0.65) NOTUMPRMT3IMPDH2ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL111600 0.83 PRMT3 (0.62) NOTUMPRMT3IMPDH2
SCHEMBL19860099 0.83 NOTUM (0.64) NOTUMPRMT3IMPDH2
SCHEMBL16634909 0.82 PRMT3 (0.61) NOTUMPRMT3IMPDH2HPGDALDH1A1
SCHEMBL12202000 0.82 NOTUM (0.76) NOTUMPRMT3IMPDH2NAMPTNPC1
SCHEMBL4428374 0.82 NOTUM (0.62) NOTUMPRMT3IMPDH2
SCHEMBL3066012 0.81 IMPDH2 (0.63) NOTUMPRMT3IMPDH2
SCHEMBL30176801 0.81 KDM4E (0.66) NOTUMPRMT3IMPDH2ALDH1A1KMT2A

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