SCHEMBL22561427

SCHEMBL22561427

CNc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)C(C)C(OC)C2CCCN2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 4/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.44
MMP1 P03956 7/20 0.43
FCER2 P06734 6/20 0.43
RAB9A P51151 1/20 0.43
MMP8 P22894 2/20 0.42
MMP9 P14780 1/20 0.40
ITGB1 P05556 1/20 0.40
ITGA4 P13612 1/20 0.40
FKBP4 Q02790 1/20 0.40

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
SCHEMBL20196522 0.87 GAA (0.42) KMT2ATSHRMMP1
SCHEMBL21781988 0.85 KDM1A (0.41) KLKB1MEN1KMT2ATSHRFKBP4
SCHEMBL20750962 0.85 GAA (0.41) TSHRRAB9AFKBP4
SCHEMBL2734908 0.85 POLB (0.49) KMT2A
SCHEMBL9892967 0.85 POLB (0.49) KMT2A
SCHEMBL22810961 0.85 POLB (0.49) KMT2A
SCHEMBL15313443 0.85 POLB (0.49) KMT2A
SCHEMBL21699252 0.85 POLB (0.49) KMT2A
SCHEMBL21781767 0.84 MMP13 (0.37)
SCHEMBL21782055 0.84 FKBP4 (0.39) KLKB1MEN1KMT2ATSHRMMP1

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-3725798-A1 BIOACTIVE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2020-10-21 EP disclosed