SCHEMBL21782055

SCHEMBL21782055

CN[C@@H](CCCNC=O)C(=O)Nc1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](C)[C@@H](OC)[C@@H]2CCCN2C)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP4 Q02790 1/20 0.39
KDM1A O60341 1/20 0.38
KMT2A Q03164 2/20 0.37
AKT1 P31749 2/20 0.37
KLKB1 P03952 1/20 0.37
MEN1 O00255 1/20 0.37
MMP1 P03956 2/20 0.37
FCER2 P06734 1/20 0.37
TSHR P16473 1/20 0.36
LCK P06239 1/20 0.36
TACR2 P21452 4/20 0.36
MMP8 P22894 1/20 0.36
MMP3 P08254 1/20 0.36
F7 P08709 1/20 0.36

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
SCHEMBL21781988 0.92 KDM1A (0.41) FKBP4KDM1AKMT2AAKT1KLKB1
SCHEMBL22561364 0.87 KDM1A (0.39) FKBP4KDM1AKMT2AAKT1KLKB1
SCHEMBL21781778 0.85 KLKB1 (0.40) FKBP4KDM1AKMT2AAKT1KLKB1
SCHEMBL22561427 0.84 KLKB1 (0.44) FKBP4KMT2AKLKB1MEN1MMP1
SCHEMBL21781776 0.83 CXCR4 (0.38) FKBP4KDM1AAKT1MMP1MMP3
SCHEMBL21781926 0.81 AKT1 (0.42) AKT1KLKB1LCKTACR2
SCHEMBL20750962 0.76 GAA (0.41) FKBP4TSHRTACR2
SCHEMBL22810961 0.75 POLB (0.49) KMT2A
SCHEMBL21699252 0.75 POLB (0.49) KMT2A
SCHEMBL2734908 0.75 POLB (0.49) KMT2A

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-3617221-A1 CYTOTOXIN AND CONJUGATE, USES OF SAME, AND PREPARATION METHOD THEREFOR Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-03-04 EP disclosed