SCHEMBL10588784

SCHEMBL10588784

CC(=O)Nc1ncc(C(O)CBr)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
CYP1A2 P05177 2/20 0.34
PTK2 Q05397 1/20 0.33
MAPK8 P45983 1/20 0.33
POLB P06746 2/20 0.33
CCNE2 O96020 1/20 0.32
CCNE1 P24864 1/20 0.32
CDK2 P24941 1/20 0.32
RORC P51449 1/20 0.32
ACACB O00763 1/20 0.32
DHODH Q02127 1/20 0.32
ADORA3 P0DMS8 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
ADORA1 P30542 1/20 0.32
GRIN2B Q13224 1/20 0.32
TKT P29401 1/20 0.32

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
SCHEMBL10588773 0.85 TAAR1 (0.36) LMNAHTTL3MBTL1CYP1A2PTK2
SCHEMBL9769158 0.84 CCNE1 (0.39) LMNAHTTL3MBTL1POLBCCNE1
SCHEMBL9605493 0.77 L3MBTL1 (0.39) LMNAHTTL3MBTL1CYP1A2PTK2
SCHEMBL6324850 0.72 DHODH (0.54) LMNAHTTL3MBTL1CYP1A2POLB
SCHEMBL2275255 0.72 MEN1 (0.43) LMNAHTTL3MBTL1CYP1A2PTK2
SCHEMBL13304496 0.70 ADORA3 (0.46) LMNAHTTL3MBTL1CYP1A2PTK2
SCHEMBL14069596 0.70 LMNA (0.45) LMNAHTTL3MBTL1CYP1A2PTK2
SCHEMBL10588266 0.69 L3MBTL1 (0.44) LMNAHTTL3MBTL1CYP1A2PTK2
SCHEMBL18610938 0.69 L3MBTL1 (0.44) LMNAHTTL3MBTL1CYP1A2PTK2
SCHEMBL12618024 0.69 CYP1A2 (0.52) LMNAHTTCYP1A2POLBADORA3

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
EP-0325131-A2 Pyrimidine derivatives as performance stimulating agents BAYER AG (DE) 1989-07-26 EP disclosed