SCHEMBL28773147

SCHEMBL28773147

O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)OC(c1ccccc1)(c1ccccc1)c1ccccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.53
▸ FABP7 O15540 2/20 0.43
▸ FABP5 Q01469 2/20 0.43
▸ EPHX2 P34913 1/20 0.39
▸ MDM4 O15151 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CASP3 P42574 2/20 0.36
▸ OPRD1 P41143 1/20 0.35

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
SCHEMBL25657687 0.95 KMT2A (0.48) KMT2AFABP7FABP5EPHX2MDM4
SCHEMBL20013095 0.93 KMT2A (0.62) KMT2AFABP7FABP5EPHX2MDM4
SCHEMBL20013329 0.93 KMT2A (0.62) KMT2AFABP7FABP5EPHX2MDM4
SCHEMBL22199575 0.93 KMT2A (0.62) KMT2AFABP7FABP5EPHX2MDM4
SCHEMBL22199576 0.93 KMT2A (0.62) KMT2AFABP7FABP5EPHX2MDM4
SCHEMBL23156981 0.90 KMT2A (0.44) KMT2AFABP7FABP5EPHX2MDM4
SCHEMBL25658818 0.90 KMT2A (0.44) KMT2AFABP7FABP5EPHX2MDM4
SCHEMBL25658800 0.90 KMT2A (0.44) KMT2AFABP7FABP5EPHX2MDM4
SCHEMBL25658804 0.90 KMT2A (0.44) KMT2AFABP7FABP5EPHX2MDM4
SCHEMBL29855170 0.90 KMT2A (0.61) KMT2AFABP7FABP5EPHX2MDM4

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
CN-114729006-A Cyclic peptide compounds having Kras inhibitory activity 中外制药株式会社 2022-07-08 — — CN disclosed
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