SCHEMBL30157936

SCHEMBL30157936

COc1cccc(CCNC(=O)CC2CCC(=O)N2Cc2cccc(F)c2F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ P2RX7 Q99572 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ IDO1 P14902 1/20 0.43
▸ MTNR1A P48039 1/20 0.42
▸ MTNR1B P49286 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41

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
SCHEMBL30157387 0.94 P2RX7 (0.48) KDM4EALDH1A1P2RX7MEN1KMT2A
SCHEMBL30157907 0.91 P2RX7 (0.48) KDM4EALDH1A1P2RX7MEN1KMT2A
SCHEMBL30157439 0.90 P2RX7 (0.44) KDM4EALDH1A1P2RX7MEN1KMT2A
SCHEMBL30158008 0.89 P2RX7 (0.49) ALDH1A1P2RX7KMT2AMAPT
SCHEMBL30157436 0.89 P2RX7 (0.48) ALDH1A1P2RX7KMT2A
SCHEMBL30157349 0.88 P2RX7 (0.51) KDM4EALDH1A1P2RX7MEN1KMT2A
SCHEMBL30157971 0.87 P2RX7 (0.47) ALDH1A1P2RX7MEN1KMT2A
SCHEMBL30157834 0.87 P2RX7 (0.47) KDM4EALDH1A1P2RX7
SCHEMBL30157510 0.85 P2RX7 (0.51) ALDH1A1P2RX7KMT2A
SCHEMBL30157572 0.85 P2RX7 (0.50) KDM4EALDH1A1P2RX7MEN1KMT2A

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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