SCHEMBL19860072

SCHEMBL19860072

O=C1CN(CC(=O)Nc2ccc3cnccc3c2)CCN1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.61
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.54
PRMT3 O60678 9/20 0.48
IMPDH2 P12268 2/20 0.48
NOTUM Q6P988 4/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
TERT O14746 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
SCHEMBL14124393 0.89 IMPDH2 (0.52) ALDH1A1PRMT3IMPDH2NOTUMLMNA
SCHEMBL14124408 0.85 TERT (0.53) ALDH1A1POLBPRMT3IMPDH2NOTUM
SCHEMBL19860085 0.83 TERT (0.64) SMN1; SMN2ALDH1A1POLBPRMT3IMPDH2
SCHEMBL19860074 0.82 TERT (0.63) SMN1; SMN2ALDH1A1POLBPRMT3IMPDH2
SCHEMBL19860084 0.80 IMPDH2 (0.55) SMN1; SMN2ALDH1A1PRMT3IMPDH2NOTUM
SCHEMBL2162496 0.80 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1POLBLMNA
SCHEMBL19860073 0.78 IMPDH2 (0.53) ALDH1A1PRMT3IMPDH2NOTUMLMNA
SCHEMBL13102889 0.78 SMN1; SMN2 (0.79) SMN1; SMN2ALDH1A1POLBTSHR
SCHEMBL19860076 0.76 LMNA (0.61) SMN1; SMN2ALDH1A1POLBIMPDH2LMNA
SCHEMBL19860086 0.76 GSK3B (0.58) SMN1; SMN2ALDH1A1PRMT3IMPDH2NOTUM

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