SCHEMBL28758908

SCHEMBL28758908

COC(=O)c1cccc(N2CCC(Br)C2=O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.55
GRM2 Q14416 1/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
TP53 P04637 1/20 0.46
ATM Q13315 1/20 0.45
HPGD P15428 2/20 0.44
PMM2 O15305 1/20 0.44
MPI P34949 1/20 0.44
RAB9A P51151 1/20 0.44
PHOSPHO1 Q8TCT1 1/20 0.44
TSHR P16473 1/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 1/20 0.44
OPRM1 P35372 1/20 0.44
OPRL1 P41146 1/20 0.44
MAPT P10636 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL6568249 0.86 GAA (0.56) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL8568619 0.80 ROCK2 (0.56) GAAKMT2AMAPT
SCHEMBL8568624 0.80 ROCK2 (0.56) GAAKMT2AMAPT
SCHEMBL18048721 0.79 KMT2A (0.45) ALDH1A1LMNAMAPK1TP53HPGD
SCHEMBL6566908 0.78 GAA (0.48) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL7421223 0.77 GAA (0.47) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL30443816 0.76 KDM1A (0.54) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL4121023 0.76 GAA (0.57) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL5853439 0.76 KDM1A (0.54) GAAGRM2ALDH1A1LMNAMAPK1
SCHEMBL132460 0.75 GAA (0.55) GAAGRM2ALDH1A1LMNAMAPK1

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
CN-114591317-A P2X3 inhibitors and uses thereof 武汉人福创新药物研发中心有限公司 2022-06-07 CN disclosed