SCHEMBL30157512

SCHEMBL30157512

O=C(NCc1cc(Cl)ccc1Cl)C1CC(=O)N(c2ccc(F)cc2)C1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
P2RX7 Q99572 5/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
MAPT P10636 1/20 0.55
POLB P06746 2/20 0.54

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
SCHEMBL30157467 0.94 GAA (0.65) ALDH1A1LMNAGAATDP1P2RX7
SCHEMBL30158687 0.92 P2RX7 (0.67) ALDH1A1LMNAGAATDP1P2RX7
SCHEMBL30158012 0.89 MEN1 (0.68) ALDH1A1GAATDP1P2RX7MEN1
SCHEMBL30157465 0.88 P2RX7 (0.60) ALDH1A1LMNATDP1P2RX7MEN1
SCHEMBL30157795 0.87 P2RX7 (0.56) ALDH1A1LMNAGAATDP1P2RX7
SCHEMBL30157302 0.85 P2RX7 (0.72) ALDH1A1LMNAGAATDP1P2RX7
SCHEMBL30157683 0.84 ALDH1A1 (0.61) ALDH1A1LMNAGAATDP1MEN1
SCHEMBL30157734 0.84 GAA (0.63) ALDH1A1LMNAGAATDP1P2RX7
SCHEMBL30157791 0.83 GAA (0.63) ALDH1A1LMNAGAATDP1P2RX7
SCHEMBL30158038 0.82 P2RX7 (0.53) ALDH1A1GAATDP1P2RX7MEN1

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