SCHEMBL21782074

SCHEMBL21782074

C#CC(NC(=O)C(C)C(OC)C1CCCN1C)C(=O)NCc1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPID Q08752 10/20 0.40
PPIG Q13427 5/20 0.40
PPIB P23284 4/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PPIA P62937 1/20 0.37
TPSAB1 Q15661 1/20 0.36
TPSD1 Q9BZJ3 1/20 0.36
TPSG1 Q9NRR2 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
SCHEMBL21781817 0.83 ITGB1 (0.41) PPIDPPIGMEN1KMT2A
SCHEMBL21781762 0.80 PPID (0.35) PPIDPPIGPPIBMEN1KMT2A
SCHEMBL21782019 0.80 SMN1; SMN2 (0.40) PPIDPPIGPPIBMEN1KMT2A
SCHEMBL21781767 0.77 MMP13 (0.37) TPSAB1TPSD1TPSG1
SCHEMBL21781844 0.75 MMP2 (0.42) MEN1KMT2A
SCHEMBL22561427 0.74 KLKB1 (0.44) MEN1KMT2A
SCHEMBL25867815 0.74 CHRNB4 (0.36)
SCHEMBL26765974 0.72 NPC1 (0.44) MEN1KMT2A
SCHEMBL22600820 0.72 NPC1 (0.44) MEN1KMT2A
SCHEMBL22810961 0.71 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