SCHEMBL19860085

SCHEMBL19860085

O=C(CN1CCCC1)Nc1ccc2cnccc2c1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.64
PRMT3 O60678 7/20 0.61
POLB P06746 1/20 0.57
MEN1 O00255 1/20 0.56
HPGD P15428 1/20 0.56
KMT2A Q03164 1/20 0.56
IMPDH2 P12268 2/20 0.55
ALDH1A1 P00352 3/20 0.54
KDM4E B2RXH2 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
LMNA P02545 1/20 0.54
TSHR P16473 1/20 0.54
THRB P10828 1/20 0.53
GSK3B P49841 2/20 0.53
DYRK1A Q13627 2/20 0.53

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
SCHEMBL19860074 0.99 TERT (0.63) TERTPRMT3POLBMEN1HPGD
SCHEMBL19860086 0.90 GSK3B (0.58) TERTPRMT3MEN1KMT2AIMPDH2
SCHEMBL14124408 0.90 TERT (0.53) TERTPRMT3POLBIMPDH2ALDH1A1
SCHEMBL19860084 0.89 IMPDH2 (0.55) TERTPRMT3MEN1KMT2AIMPDH2
SCHEMBL14124393 0.89 IMPDH2 (0.52) TERTPRMT3IMPDH2ALDH1A1LMNA
SCHEMBL2162496 0.89 ALDH1A1 (0.58) POLBMEN1HPGDKMT2AALDH1A1
SCHEMBL19860073 0.87 IMPDH2 (0.53) TERTPRMT3MEN1KMT2AIMPDH2
SCHEMBL19860076 0.85 LMNA (0.61) POLBMEN1KMT2AIMPDH2ALDH1A1
SCHEMBL19860072 0.83 SMN1; SMN2 (0.61) TERTPRMT3POLBIMPDH2ALDH1A1
SCHEMBL19860095 0.79 IMPDH2 (0.62) PRMT3IMPDH2

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