SCHEMBL27242501

SCHEMBL27242501

CS(=O)(=O)c1cccc(NC(=O)c2c3ccccc3nn2CC2CCCOC2)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 3/20 0.50
ROCK2 O75116 1/20 0.50
PTGER4 P35408 3/20 0.44
NR1H2 P55055 2/20 0.44
CSNK2A1 P68400 1/20 0.42
GRM4 Q14833 3/20 0.41
KDM4E B2RXH2 2/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CREBBP Q92793 2/20 0.39
GAA P10253 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
MCL1 Q07820 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL27242607 0.90 PTGER4 (0.53) ROCK1ROCK2PTGER4CSNK2A1KDM4E
SCHEMBL27242430 0.90 PTGER4 (0.51) ROCK1ROCK2PTGER4CSNK2A1KDM4E
SCHEMBL27242584 0.86 ROCK1 (0.49) ROCK1ROCK2PTGER4KDM4EMEN1
SCHEMBL27242775 0.85 ROCK1 (0.44) ROCK1ROCK2PTGER4GRM4CREBBP
SCHEMBL27242456 0.85 ROCK1 (0.44) ROCK1ROCK2PTGER4GRM4CREBBP
SCHEMBL27242476 0.84 ROCK2 (0.48) ROCK1ROCK2PTGER4CSNK2A1KDM4E
SCHEMBL30895629 0.84 ROCK2 (0.46) ROCK1ROCK2PTGER4CSNK2A1KDM4E
SCHEMBL24757352 0.83 NR1H2 (0.41) NR1H2GRM4KDM4EMAPK1TDP1
SCHEMBL27242530 0.82 PTGER4 (0.51) ROCK1ROCK2PTGER4KDM4EMEN1
SCHEMBL30895659 0.81 IDH1 (0.49) ROCK1ROCK2PTGER4KDM4EMAPK1

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-4385980-A1 INDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2024-06-19 EP disclosed