SCHEMBL24254521

SCHEMBL24254521

Cc1ccc(SNc2ccccc2)cc1NC(=O)Cc1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
NR1H4 Q96RI1 1/20 0.51
NLRP3 Q96P20 1/20 0.50
MAPK10 P53779 4/20 0.47
MAPK8 P45983 2/20 0.47
RIOK2 Q9BVS4 5/20 0.47
GSK3A P49840 3/20 0.47
HIPK1 Q86Z02 1/20 0.47
SNRK Q9NRH2 1/20 0.47
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL24254507 0.86 MEN1 (0.48) L3MBTL1MEN1KMT2ALMNAGAA
SCHEMBL24254519 0.77 MGAT2 (0.57) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL9367263 0.75 NR1H4 (0.83) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL24254550 0.72 HPGD (0.46) L3MBTL1MEN1KMT2ALMNAGAA
SCHEMBL2038480 0.71 L3MBTL1 (0.76) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL24254523 0.71 HPGD (0.59) L3MBTL1MEN1KMT2AMAPK10MAPK8
SCHEMBL13451637 0.71 NR1H4 (0.74) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL28605599 0.70 HCAR2 (0.70) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL13451638 0.68 NR1H4 (0.74) L3MBTL1MEN1KMT2ANR1H4NLRP3
SCHEMBL23135812 0.68 KDM4E (0.58) L3MBTL1MEN1KMT2AGAAHPGD

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-2022035804-A1 SUBSTITUTED 3-AMINO-4-METHYLBENZENESULFONAMIDES AS SMALL MOLECULE INHIBITORS OF UBIQUITIN-SPECIFIC PROTEASE 28 DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-02-17 WO disclosed