SCHEMBL30157863

SCHEMBL30157863

Cc1ccc(CN2C(=O)CCC2CC(=O)NCCN2CCCC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.62
▸ USP2 O75604 1/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ CYP3A4 P08684 4/20 0.50
▸ CYP2D6 P10635 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ CACNA1G O43497 2/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ GAA P10253 2/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HTT P42858 1/20 0.43

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
SCHEMBL30157530 0.89 ALDH1A1 (0.51) ALDH1A1USP2KMT2ACYP2D6TSHR
SCHEMBL30157688 0.86 KMT2A (0.58) ALDH1A1USP2KMT2ACYP3A4CYP2C19
SCHEMBL30157966 0.86 KMT2A (0.58) ALDH1A1KMT2ACYP3A4CYP2C19TSHR
SCHEMBL30157590 0.86 KMT2A (0.58) ALDH1A1USP2KMT2ACYP3A4CYP2C19
SCHEMBL30157678 0.83 KMT2A (0.60) ALDH1A1USP2KMT2ACYP3A4CYP2C19
SCHEMBL30157406 0.83 ALDH1A1 (0.58) ALDH1A1USP2KMT2ACYP3A4CYP2C19
SCHEMBL30157475 0.83 KMT2A (0.57) ALDH1A1USP2KMT2ACYP3A4CYP2D6
SCHEMBL30157767 0.82 KMT2A (0.54) ALDH1A1KMT2ATSHRNPSR1KDM4E
SCHEMBL30158015 0.82 KMT2A (0.54) ALDH1A1USP2KMT2ACYP3A4CYP2C19
SCHEMBL30157585 0.82 HTT (0.58) ALDH1A1KMT2ACYP3A4CYP2C19TSHR

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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