SCHEMBL4344636

SCHEMBL4344636

Cc1cc2ncc(Br)nc2cc1C(=O)N1CC2(C)CN(C(=O)c3cc4nc(Br)cnc4cc3C)CC(C)(C1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.47
ALOX15 P16050 1/20 0.32
FASN P49327 2/20 0.32
KMT2A Q03164 1/20 0.31
PIK3C3 Q8NEB9 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HCRTR1 O43613 3/20 0.31
HCRTR2 O43614 3/20 0.31
SPR P35270 1/20 0.30
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL4350380 0.87 FASN (0.34) GAAFASNPIK3C3HSP90AA1HCRTR1
SCHEMBL4342604 0.74 GAA (0.39) GAAALOX15KMT2AHCRTR1HCRTR2
SCHEMBL28286272 0.68 ALDH1A1 (0.57) GAAALDH1A1
SCHEMBL4349456 0.68 HPGD (0.40) GAAKMT2AALDH1A1
SCHEMBL4350146 0.68 TDP1 (0.51) GAAKMT2AALDH1A1
SCHEMBL4353500 0.66 ATM (0.44) GAAKMT2AALDH1A1
SCHEMBL4342450 0.65 KDM4E (0.48) GAAKMT2AHSP90AA1ALDH1A1
SCHEMBL4345832 0.63 GAA (0.36) GAAALOX15KMT2APIK3C3SPR
SCHEMBL4349007 0.63 KMT2A (0.41) GAAALOX15KMT2AALDH1A1POLB
SCHEMBL4354896 0.62 HPGD (0.34) HCRTR1HCRTR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2088149-A1 PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) 2009-08-12 EP claimed
EP-2088149-A1 PHARMACOLOGICALLY ACTIVE N,N'-SUBSTITUTED 3,7-DIAZABICYCLO Ý3.3.1¨NONANES, PHARMACEUTICAL COMPOSITIONS BASED THEREON AND A METHOD FOR THE USE THEREOF Institute of Physiologically active compunds of the Russian Academy of Sciences (IPAC RAN) (RU) 2009-08-12 EP disclosed