SCHEMBL27465877

SCHEMBL27465877

CNC(=O)c1cnc(S(C)(=O)=O)c(C#N)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.38
LRRK2 Q5S007 1/20 0.38
HPGDS O60760 2/20 0.37
PSMD14 O00487 1/20 0.37
STAMBP O95630 1/20 0.37
COPS5 Q92905 1/20 0.37
TNIK Q9UKE5 2/20 0.37
XDH P47989 2/20 0.36
BAZ2B Q9UIF8 1/20 0.35
GRM5 P41594 1/20 0.35
AR P10275 1/20 0.35
SCN9A Q15858 2/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CSF1R P07333 1/20 0.34
SCN5A Q14524 1/20 0.34
VNN1 O95497 1/20 0.34

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
SCHEMBL27415959 0.85 HPGDS (0.41) LRRK2HPGDSARSCN9AEGLN1
SCHEMBL27416291 0.84 XDH (0.44) XDH
SCHEMBL31108446 0.82 CYP11B2 (0.40) LRRK2HPGDSXDHVNN1
SCHEMBL27415003 0.81 EPHX2 (0.40) POLBSCN9AEGLN1SCN5AVNN1
SCHEMBL27415994 0.81 EPHX2 (0.42) POLBEGLN2EGLN1
SCHEMBL17546403 0.79 KDM4E (0.43) LRRK2HPGDSPSMD14STAMBPCOPS5
SCHEMBL27465963 0.78 LRRK2 (0.47) LRRK2HPGDSPSMD14STAMBPCOPS5
SCHEMBL27415996 0.76 MLYCD (0.37) XDHSCN9ASCN5A
SCHEMBL27415939 0.75 EPHX2 (0.36) POLBSCN9ASCN5A
SCHEMBL27466143 0.74 SCN9A (0.42) POLBXDHSCN9ASCN5A

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
WO-2024129628-A1 AURISTATIN LINKER-PAYLOADS, PHARMACEUTICAL COMPOSITIONS, AND USES THEREOF MERCK SHARP & DOHME LLC (US) 2024-06-20 WO disclosed