SCHEMBL21781844

SCHEMBL21781844

COC(C(C)C(=O)NC(Cc1ccccc1)C(=O)NCCc1ccc(N)cc1)C1CCCN1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.42
KMT2A Q03164 3/20 0.41
MMP3 P08254 3/20 0.40
F10 P00742 1/20 0.40
TSHR P16473 1/20 0.40
NPFFR1 Q9GZQ6 1/20 0.39
NPFFR2 Q9Y5X5 1/20 0.39
MMP8 P22894 2/20 0.39
MMP9 P14780 1/20 0.39
TACR2 P21452 3/20 0.39
KLKB1 P03952 1/20 0.39
MEN1 O00255 1/20 0.39
MMP1 P03956 1/20 0.39

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
SCHEMBL21781817 0.85 ITGB1 (0.41) KMT2ATSHRKLKB1MEN1
SCHEMBL20750962 0.85 GAA (0.41) TSHRTACR2
SCHEMBL2734908 0.84 POLB (0.49) KMT2A
SCHEMBL9892967 0.84 POLB (0.49) KMT2A
SCHEMBL15313443 0.84 POLB (0.49) KMT2A
SCHEMBL21699252 0.84 POLB (0.49) KMT2A
SCHEMBL22810961 0.84 POLB (0.49) KMT2A
SCHEMBL22419948 0.84 TACR2 (0.41) TSHRTACR2
SCHEMBL19443285 0.84 TACR2 (0.41) TSHRTACR2
SCHEMBL22476513 0.84 GAA (0.42)

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