SCHEMBL29943552

SCHEMBL29943552

CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)c2cc3cc(OC(F)(F)F)ccc3[nH]2)C1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ FPR2 P25090 1/20 0.51
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ HRH3 Q9Y5N1 4/20 0.45
▸ AKR1C3 P42330 1/20 0.45
▸ ABCB1 P08183 1/20 0.44
▸ PARP1 P09874 1/20 0.44
▸ HRH4 Q9H3N8 1/20 0.43
▸ GPR183 P32249 1/20 0.42
▸ MAPT P10636 2/20 0.42

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
SCHEMBL23389181 1.00 KMT2A (0.51) KMT2AMEN1FPR2KDM4EGAA
SCHEMBL23389178 1.00 KMT2A (0.51) KMT2AMEN1FPR2KDM4EGAA
SCHEMBL23389233 0.85 KMT2A (0.46) KMT2AMEN1CA1CA2HRH3
SCHEMBL23389232 0.85 KMT2A (0.46) KMT2AMEN1CA1CA2HRH3
SCHEMBL29943544 0.82 DDR1 (0.47) KMT2AKDM4EGAACA1CA2
SCHEMBL23389143 0.82 DDR1 (0.47) KMT2AKDM4EGAACA1CA2
SCHEMBL23389145 0.82 DDR1 (0.47) KMT2AKDM4EGAACA1CA2
SCHEMBL23419189 0.81 FPR2 (0.55) KMT2AMEN1FPR2KDM4EGAA
SCHEMBL21235453 0.80 KMT2A (0.55) KMT2AMEN1FPR2HRH3PARP1
SCHEMBL29991244 0.80 KMT2A (0.55) KMT2AMEN1FPR2HRH3PARP1

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
EP-4061341-A1 CASPASE 6 INHIBITORS AND USES THEREOF The Regents of the University of California (US) 2022-09-28 — — EP disclosed
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