SCHEMBL24697342

SCHEMBL24697342

O=[SH](=O)c1c[nH]c(-c2cccs2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 1/20 0.41
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
GSK3B P49841 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
PARP1 P09874 1/20 0.38
KDM4E B2RXH2 1/20 0.38
PIM1 P11309 1/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37
GFER P55789 1/20 0.37
TSHR P16473 1/20 0.36
ADORA3 P0DMS8 1/20 0.35
PTGER2 P43116 1/20 0.35

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
SCHEMBL31499190 0.76 KMT2A (0.44) KMT2AMEN1POLBCCNB2CDK1
SCHEMBL3417325 0.74 DPP4 (0.41) KMT2AMEN1POLBCCNB2CDK1
SCHEMBL24697182 0.72
SCHEMBL24696470 0.72 KDM4E (0.39) POLBPARP1KDM4EMAPTGAA
SCHEMBL17280229 0.71 POLB (0.41) KMT2AMEN1POLBCCNB2CDK1
SCHEMBL24696846 0.70 CYP2A6 (0.37) GSK3BPIM1
SCHEMBL23838781 0.69 LTA4H (0.52) KMT2AMEN1POLBGSK3BKDM4E
SCHEMBL24696471 0.69
SCHEMBL29750731 0.68 CNR2 (0.38) KMT2AMEN1POLBCCNB2CDK1
SCHEMBL3416870 0.67 HCAR2 (0.47) KMT2AMEN1POLBKDM4EMAPT

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-2022254027-A1 3-PYRROLYLSULFONAMIDE COMPOUNDS AS GPR17 ANTAGONISTS REWIND THERAPEUTICS NV (BE) 2022-12-08 WO disclosed