SCHEMBL19860073

SCHEMBL19860073

CC(=O)N1CCN(CC(=O)Nc2ccc3cnccc3c2)CC1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.53
PRMT3 O60678 7/20 0.53
ALDH1A1 P00352 2/20 0.53
KDM4E B2RXH2 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TERT O14746 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
NOTUM Q6P988 2/20 0.50
ROCK2 O75116 1/20 0.49

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
SCHEMBL19860084 0.88 IMPDH2 (0.55) IMPDH2PRMT3ALDH1A1MEN1KMT2A
SCHEMBL19860085 0.87 TERT (0.64) IMPDH2PRMT3ALDH1A1KDM4EMEN1
SCHEMBL19860074 0.86 TERT (0.63) IMPDH2PRMT3ALDH1A1KDM4EMEN1
SCHEMBL19860086 0.84 GSK3B (0.58) IMPDH2PRMT3ALDH1A1KDM4EMEN1
SCHEMBL14124393 0.84 IMPDH2 (0.52) IMPDH2PRMT3ALDH1A1TERTLMNA
SCHEMBL2162496 0.84 ALDH1A1 (0.58) ALDH1A1KDM4EMEN1KMT2AHTT
SCHEMBL19860076 0.82 LMNA (0.61) IMPDH2ALDH1A1MEN1KMT2AHTT
SCHEMBL14124408 0.80 TERT (0.53) IMPDH2PRMT3ALDH1A1TERTLMNA
SCHEMBL19860072 0.78 SMN1; SMN2 (0.61) IMPDH2PRMT3ALDH1A1TERTLMNA
SCHEMBL30176801 0.78 KDM4E (0.66) IMPDH2PRMT3ALDH1A1KDM4EMEN1

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