SCHEMBL30157782

SCHEMBL30157782

Cc1ccc(CN2C(=O)CCC2CC(=O)NC(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.56
▸ ALDH1A1 P00352 3/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ GAA P10253 4/20 0.48
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ POLB P06746 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HTT P42858 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ USP2 O75604 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ HPGD P15428 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30157374 0.90 KMT2A (0.53) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL30157996 0.86 KMT2A (0.57) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL30157852 0.86 KMT2A (0.52) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL30158513 0.86 KMT2A (0.49) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL30157316 0.85 KMT2A (0.51) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL30157678 0.84 KMT2A (0.60) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL30157712 0.84 KMT2A (0.57) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL30157406 0.84 ALDH1A1 (0.58) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL30157786 0.83 KMT2A (0.56) KMT2AALDH1A1KDM4EMAPTGAA
SCHEMBL30158532 0.82 KMT2A (0.56) KMT2AALDH1A1KDM4EMAPTGAA

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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