SCHEMBL30157695

SCHEMBL30157695

O=C(CC1CCC(=O)N1Cc1cccc(F)c1F)Nc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.52
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ ECE1 P42892 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ GRIN2D O15399 3/20 0.39
▸ GRIN3B O60391 3/20 0.39
▸ GRIN1 Q05586 3/20 0.39
▸ GRIN2A Q12879 3/20 0.39
▸ GRIN2B Q13224 3/20 0.39
▸ GRIN2C Q14957 3/20 0.39
▸ GRIN3A Q8TCU5 3/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 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
SCHEMBL30157750 0.86 P2RX7 (0.57) P2RX7ALDH1A1
SCHEMBL30157794 0.85 P2RX7 (0.55) P2RX7HDAC1HDAC2ALDH1A1
SCHEMBL31551413 0.85 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL30158703 0.85 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL29103291 0.85 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL30157290 0.85 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL30157565 0.85 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL30157681 0.85 P2RX7 (0.53) P2RX7KMT2A
SCHEMBL27246032 0.85 P2RX7 (0.53) P2RX7KMT2AHTTALDH1A1
SCHEMBL30157689 0.85 P2RX7 (0.49) P2RX7KMT2AMEN1GAAALDH1A1

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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