SCHEMBL30877366

SCHEMBL30877366

Cc1ccc(S(=O)(=O)n2cccc2-c2cc(C)c3cc4ccccc4nc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.42
HTT P42858 3/20 0.42
ALDH3A1 P30838 2/20 0.42
NOD1 Q9Y239 2/20 0.42
POLB P06746 1/20 0.42
RAPGEF4 Q8WZA2 1/20 0.41
KDM4E B2RXH2 5/20 0.40
GAA P10253 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CXCL8 P10145 1/20 0.38
NOD2 Q9HC29 1/20 0.38
UBE2N P61088 1/20 0.38
MAPT P10636 1/20 0.37
SLC9A1 P19634 1/20 0.37
ALPL P05186 1/20 0.37
GBA1 P04062 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36

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
SCHEMBL30877433 0.84 ALDH3A1 (0.40) L3MBTL1HTTALDH3A1NOD1POLB
SCHEMBL7678499 0.74 RAPGEF4 (0.56) L3MBTL1HTTALDH3A1NOD1POLB
SCHEMBL29888784 0.70 HTR6 (0.45) HTTNOD1RAPGEF4ALDH1A1NOD2
SCHEMBL29888826 0.70 RAPGEF4 (0.43) L3MBTL1RAPGEF4HTR1ADRD2HTR2A
SCHEMBL30877263 0.70 ALDH3A1 (0.42) L3MBTL1HTTALDH3A1NOD1POLB
SCHEMBL28154364 0.69 RAPGEF4 (0.48) L3MBTL1RAPGEF4KDM4EUBE2NHTR1A
SCHEMBL21590225 0.68 RAPGEF4 (0.52) L3MBTL1HTTALDH3A1NOD1POLB
SCHEMBL28458237 0.68 RAPGEF4 (0.52) L3MBTL1HTTALDH3A1NOD1POLB
SCHEMBL30977550 0.68 CYP2A6 (0.50) L3MBTL1POLBRAPGEF4ALDH1A1GBA1
SCHEMBL28487419 0.68 RAPGEF4 (0.49) L3MBTL1POLBRAPGEF4GAAHTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964643-B Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-07-02 CN disclosed
CN-117964643-A Pyrrole [2,3-b ] pyridine derivative and preparation method and application thereof 苏州朗睿生物医药有限公司 2024-05-03 CN disclosed