SCHEMBL7560030

SCHEMBL7560030

CN(C#N)C(=O)C(CCCCF)NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 10/20 0.47
CTSB P07858 7/20 0.47
CTSS P25774 6/20 0.47
CTSK P43235 4/20 0.47
CTSF Q9UBX1 1/20 0.47
PDE4A P27815 3/20 0.46
PADI1 Q9ULC6 3/20 0.46
PADI4 Q9UM07 3/20 0.46
PADI2 Q9Y2J8 3/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PADI6 Q6TGC4 1/20 0.41
PADI3 Q9ULW8 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
SCHEMBL5524025 0.89 LMNA (0.52) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5527592 0.86 CTSL (0.50) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5529192 0.83 HPGD (0.56) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5526372 0.82 MEN1 (0.55) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5529768 0.81 CTSL (0.65) CTSLCTSBCTSSCTSK
SCHEMBL6021764 0.80 CTSL (0.64) CTSLCTSBCTSSCTSKCTSF
SCHEMBL5517750 0.80 CTSL (0.64) CTSLCTSBCTSSCTSKCTSF
SCHEMBL6020007 0.80 CTSL (0.51) CTSLCTSBCTSSCTSKCTSF
SCHEMBL7552956 0.80 CTSL (0.47) CTSLCTSBCTSSCTSKCTSF
SCHEMBL7472684 0.80 CTSL (0.47) CTSLCTSBCTSSCTSKCTSF

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178958-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-02-13 EP disclosed
WO-2000055125-A2 N-CYANOMETHYL AMIDES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO disclosed