SCHEMBL30157795

SCHEMBL30157795

O=C(NCc1cc(Cl)ccc1Cl)C1CC(=O)N(c2ccc(F)cc2F)C1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.56
POLB P06746 2/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
ATM Q13315 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL30158127 0.92 P2RX7 (0.64) P2RX7
SCHEMBL30157931 0.90 P2RX7 (0.61) P2RX7POLBALDH1A1
SCHEMBL30157512 0.87 ALDH1A1 (0.62) P2RX7POLBALDH1A1LMNAGAA
SCHEMBL30157980 0.86 P2RX7 (0.55) P2RX7POLBALDH1A1LMNAGAA
SCHEMBL30157467 0.82 GAA (0.65) P2RX7POLBALDH1A1LMNAGAA
SCHEMBL30157894 0.82 P2RX7 (0.51) P2RX7ALDH1A1GAAMEN1KMT2A
SCHEMBL30157546 0.81 ALDH1A1 (0.58) P2RX7POLBALDH1A1MEN1KMT2A
SCHEMBL30158012 0.81 MEN1 (0.68) P2RX7POLBALDH1A1GAATDP1
SCHEMBL30158687 0.79 P2RX7 (0.67) P2RX7POLBALDH1A1LMNAGAA
SCHEMBL30157465 0.75 P2RX7 (0.60) P2RX7POLBALDH1A1LMNATDP1

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-2022268520-A1 USE OF SUBSTITUTED PYRROLIDINONES OR THEIR SALTS FOR INCREASING STRESS TOLERANCE OF PLANTS BAYER AKTIENGESELLSCHAFT (DE) 2022-12-29 WO disclosed