SCHEMBL24633713

SCHEMBL24633713

CC1OC(=O)[C@H](C2CCCC2)N1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
FABP5 Q01469 3/20 0.37
FABP7 O15540 2/20 0.37
POLB P06746 1/20 0.36
EPHX2 P34913 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
RECQL P46063 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CASP1 P29466 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
CASP3 P42574 1/20 0.33

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
SCHEMBL25657608 0.83 KMT2A (0.42) KMT2AFABP5FABP7POLBEPHX2
SCHEMBL25657611 0.82 KMT2A (0.35) KMT2AFABP5FABP7POLBEPHX2
SCHEMBL24964878 0.78 KMT2A (0.39) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL27032770 0.77 FABP5 (0.40) KMT2AFABP5FABP7POLBEPHX2
SCHEMBL29828502 0.77 FABP5 (0.40) KMT2AFABP5FABP7POLBEPHX2
SCHEMBL25657610 0.77 FABP5 (0.40) KMT2AFABP5FABP7POLBEPHX2
SCHEMBL13327272 0.76 L3MBTL1 (0.48) KMT2AFABP5FABP7EPHX2L3MBTL1
SCHEMBL25657500 0.76 KMT2A (0.40) KMT2AFABP5FABP7POLBEPHX2
SCHEMBL24633673 0.76 KMT2A (0.39) KMT2AFABP5FABP7EPHX2TSHR
SCHEMBL24633588 0.74 KMT2A (0.36) KMT2AFABP5FABP7POLBEPHX2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024101402-A1 PHARMACEUTICAL COMPOSITION CONTAINING CYCLIC COMPOUND HAVING SELECTIVE KRAS INHIBITORY EFFECT AGAINST HRAS AND NRAS 中外製薬株式会社 2024-05-16 WO disclosed
WO-2022234853-A1 CYCLIC COMPOUND HAVING INHIBITORY EFFECT SELECTIVE FOR KRAS BUT NOT FOR HRAS AND NRAS 中外製薬株式会社 2022-11-10 WO disclosed