SCHEMBL6589208

SCHEMBL6589208

CN(C#N)C(=O)[C@H](CSCc1ccccc1)NC(=O)c1ccc(O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.47
▸ CTSB P07858 5/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ PTBP1 P26599 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CTSS P25774 5/20 0.43
▸ CTSK P43235 5/20 0.43
▸ PPARG P37231 3/20 0.43
▸ PPARA Q07869 3/20 0.43
▸ ACE P12821 1/20 0.42
▸ CTSF Q9UBX1 1/20 0.41

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
SCHEMBL7548947 0.85 NPC1 (0.45) CTSLCTSBALDH1A1CTSSCTSK
SCHEMBL5525937 0.83 CTSL (0.67) CTSLCTSBCTSSCTSK
SCHEMBL5525932 0.83 CTSL (0.67) CTSLCTSBCTSSCTSK
SCHEMBL7112566 0.82 CTSL (0.42) CTSLCTSBCTSSCTSKPPARG
SCHEMBL6019209 0.81 CTSL (0.67) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6020007 0.81 CTSL (0.51) CTSLCTSBMEN1ALDH1A1LMNA
SCHEMBL6021764 0.78 CTSL (0.64) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5517750 0.78 CTSL (0.64) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5529192 0.76 HPGD (0.56) CTSLCTSBMEN1LMNAHTT
SCHEMBL3622043 0.76 ACE (0.39) CTSLCTSBMEN1LMNAHTT

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-1178958-B1 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARM INC (US) 2004-02-18 — — EP claimed
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