SCHEMBL21781767

SCHEMBL21781767

CNc1ccc(CNC(=O)C(NC(=O)C(C)C(OC)C2CCCN2C)C2CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 19/20 0.37
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 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
SCHEMBL22561427 0.84 KLKB1 (0.44)
SCHEMBL20196522 0.81 GAA (0.42)
SCHEMBL21782074 0.77 PPID (0.40) TPSAB1TPSD1TPSG1
SCHEMBL21781817 0.75 ITGB1 (0.41)
SCHEMBL21229696 0.74 HDAC3 (0.32)
SCHEMBL26765974 0.72 NPC1 (0.44)
SCHEMBL22600820 0.72 NPC1 (0.44)
SCHEMBL21781762 0.72 PPID (0.35) TPSAB1TPSD1TPSG1
SCHEMBL22810961 0.71 POLB (0.49)
SCHEMBL2734908 0.71 POLB (0.49)

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