SCHEMBL29590366

SCHEMBL29590366

CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccccc2C#N)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSL P07711 9/20 0.48
CTSS P25774 5/20 0.48
CTSK P43235 8/20 0.41
CTSB P07858 3/20 0.41
CTSV O60911 1/20 0.41
POLB P06746 1/20 0.40
TRPA1 O75762 1/20 0.39
RAB9A P51151 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 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
SCHEMBL14342619 1.00 CTSL (0.48) CTSLCTSSCTSKCTSBCTSV
SCHEMBL5581546 1.00 CTSL (0.48) CTSLCTSSCTSKCTSBCTSV
SCHEMBL14366322 0.94 CTSL (0.41) CTSLCTSSCTSKCTSBCTSV
SCHEMBL14362854 0.89 CTSL (0.44) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4037337 0.89 CTSK (0.54) CTSLCTSSCTSKCTSBCTSV
SCHEMBL461847 0.89 CTSK (0.54) CTSLCTSSCTSKCTSBCTSV
SCHEMBL14342661 0.86 CTSL (0.43) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4072175 0.86 CTSL (0.43) CTSLCTSSCTSKCTSBCTSV
SCHEMBL4075417 0.85 KDM4E (0.45) CTSLCTSSCTSKPOLBATM
SCHEMBL14342647 0.85 F10 (0.45) CTSLCTSSCTSKCTSBCTSV

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-4008326-A1 MONOVALENT METAL CATION DRY POWDERS FOR INHALATION Pulmatrix Operating Company, Inc. (US) 2022-06-08 EP disclosed