SCHEMBL22756194

SCHEMBL22756194

C[C@@H](NC(=O)C(Cc1ccc(-c2ncc(Br)cn2)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.43
▸ CTSB P07858 6/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CBX4 O00257 2/20 0.40
▸ CBX7 O95931 2/20 0.40
▸ CDYL2 Q8N8U2 2/20 0.40
▸ CBX8 Q9HC52 2/20 0.40
▸ CTSS P25774 7/20 0.39
▸ CTSK P43235 5/20 0.39
▸ ROCK2 O75116 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CTSL P07711 3/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ USP30 Q70CQ3 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
SCHEMBL16305640 1.00 TDP1 (0.43) TDP1CTSBL3MBTL1CBX4CBX7
SCHEMBL28534838 1.00 TDP1 (0.43) TDP1CTSBL3MBTL1CBX4CBX7
SCHEMBL16342898 0.91 MAPT (0.46) TDP1ROCK2MAPTPOLBRECQL
SCHEMBL15037039 0.91 MAPT (0.46) TDP1ROCK2MAPTPOLBRECQL
SCHEMBL16306015 0.90 TDP1 (0.42) TDP1CTSBL3MBTL1CBX4CBX7
SCHEMBL22384129 0.90 TDP1 (0.42) TDP1CTSBL3MBTL1CBX4CBX7
SCHEMBL16294791 0.89 CTSB (0.45) CTSBL3MBTL1CBX4CBX7CDYL2
SCHEMBL22384060 0.86 L3MBTL1 (0.45) TDP1CTSBL3MBTL1CTSSCTSK
SCHEMBL22167206 0.86 TDP1 (0.41) TDP1CTSBL3MBTL1CTSSCTSK
SCHEMBL16305782 0.86 TDP1 (0.41) TDP1CTSBL3MBTL1CTSSCTSK

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-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 — — EP disclosed
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