SCHEMBL25250950

SCHEMBL25250950

O=C(O)NC1CC1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.45
SGMS2 Q8NHU3 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
EPHX2 P34913 2/20 0.43
FAAH O00519 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ACHE P22303 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL31470357 0.86 CPB1 (0.57) ALDH1A1GAATACR1CPB1
SCHEMBL27701237 0.84 KCNA5 (0.53) ALDH1A1MEN1KMT2ASGMS2MAPT
SCHEMBL31470310 0.81 KMT2A (0.52) KMT2AL3MBTL1TACR1CPB1
SCHEMBL16223895 0.80 EPHX2 (0.45) BCHEALDH1A1MEN1KMT2AATM
SCHEMBL26115455 0.80 ALDH1A1 (0.44) BCHEALDH1A1MEN1KMT2AATM
SCHEMBL30645029 0.80 ALDH1A1 (0.44) BCHEALDH1A1MEN1KMT2AATM
SCHEMBL16223894 0.80 EPHX2 (0.45) BCHEALDH1A1MEN1KMT2AATM
SCHEMBL26112895 0.80 ALDH1A1 (0.44) BCHEALDH1A1MEN1KMT2AATM
SCHEMBL31470384 0.79 CARM1 (0.47) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL16224216 0.79 EPHX2 (0.44) ALDH1A1MEN1KMT2ASGMS2EPHX2

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
WO-2023099648-A1 PYRAOLO- AND TRIAZOLO-AZINONE COMPOUNDS AND THEIR USES ASTRAZENECA AB (SE) 2023-06-08 WO disclosed