SCHEMBL31310019

SCHEMBL31310019

O=C(CCNC(=O)OCC1c2ccccc2-c2ccccc21)Oc1c(F)c(F)cc(F)c1F

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ EPHX2 P34913 1/20 0.45
▸ CASP3 P42574 2/20 0.39
▸ MDM4 O15151 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ FABP5 Q01469 2/20 0.37
▸ FABP7 O15540 1/20 0.37

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
SCHEMBL888510 1.00 KMT2A (0.55) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL31387020 1.00 KMT2A (0.55) KMT2AEPHX2CASP3MDM4TP53
SCHEMBL3087950 0.92 KMT2A (0.58) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL7855942 0.84 KMT2A (0.69) KMT2AEPHX2CASP3
SCHEMBL6187733 0.82 KMT2A (0.65) KMT2AEPHX2CASP3FABP5FABP7
SCHEMBL25390706 0.82 KMT2A (0.52) KMT2AEPHX2CASP3
SCHEMBL25391589 0.82 KMT2A (0.52) KMT2AEPHX2CASP3
SCHEMBL16942065 0.82 KMT2A (0.52) KMT2AEPHX2CASP3
SCHEMBL30748702 0.82 KMT2A (0.52) KMT2AEPHX2CASP3
SCHEMBL3060297 0.81 KMT2A (0.51) KMT2AEPHX2CASP3FABP5FABP7

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-2025032254-A1 ANTHRACYCLINE DERIVATIVES AND CONJUGATES AND USES THEREOF ASTRAZENECA AB (SE) 2025-02-13 — — WO disclosed
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