SCHEMBL30157387

SCHEMBL30157387

COc1cc(CCNC(=O)CC2CCC(=O)N2Cc2cccc(F)c2F)cc(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.48
▸ ALDH1A1 P00352 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ MAPT P10636 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MEN1 O00255 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38

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
SCHEMBL30157936 0.94 KDM4E (0.49) P2RX7ALDH1A1KDM4EMAPTMEN1
SCHEMBL30157907 0.92 P2RX7 (0.48) P2RX7ALDH1A1KDM4EMAPTMEN1
SCHEMBL30157349 0.86 P2RX7 (0.51) P2RX7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30158008 0.86 P2RX7 (0.49) P2RX7ALDH1A1MAPTKMT2ANPC1
SCHEMBL30157463 0.86 NPC1 (0.50) P2RX7GAAMEN1KMT2ANPC1
SCHEMBL30157436 0.86 P2RX7 (0.48) P2RX7ALDH1A1GAAKMT2A
SCHEMBL30157510 0.86 P2RX7 (0.51) P2RX7ALDH1A1GAAKMT2A
SCHEMBL30157439 0.86 P2RX7 (0.44) P2RX7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30157572 0.86 P2RX7 (0.50) P2RX7ALDH1A1KDM4EMEN1KMT2A
SCHEMBL30158093 0.85 P2RX7 (0.53) P2RX7ALDH1A1KMT2ACYP2D6CYP2C9

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
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