SCHEMBL21781748

SCHEMBL21781748

CCc1ccc(NC(=O)C(CCCNC(N)=O)NC(=O)CNC(=O)CCCN2CCC(C(=O)Oc3c(F)c(F)c(F)c(F)c3F)CC2C(F)(F)F)cc1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
KLKB1 P03952 2/20 0.31
FURIN P09958 1/20 0.31
MMP7 P09237 2/20 0.31
MEN1 O00255 1/20 0.30
ITGB1 P05556 1/20 0.30
ITGA5 P08648 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL21782047 0.92
SCHEMBL21781887 0.84
SCHEMBL21781742 0.82 MMP7 (0.32) MMP7ITGB1ITGA5
SCHEMBL22068095 0.79 MAP1LC3B (0.36) KMT2AKLKB1FURINMEN1ITGB1
SCHEMBL21781963 0.79 HRH1 (0.35) KLKB1FURINITGB1ITGA5
SCHEMBL21781807 0.78 CYP3A4 (0.31) ITGB1
SCHEMBL21782071 0.77 ITGB1 (0.34) MMP7ITGB1ITGA5
SCHEMBL21782081 0.76 KMT2A (0.34) KMT2AKLKB1MMP7
SCHEMBL21781802 0.74 OPRD1 (0.30)
SCHEMBL21649652 0.73 SIRT1 (0.42) FURIN

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