SCHEMBL30877263

SCHEMBL30877263

Cc1ccc(S(=O)(=O)n2cc(Cl)cc2-c2ccc3cc4ccccc4nc3c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH3A1 P30838 4/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
HTT P42858 3/20 0.42
NOD1 Q9Y239 2/20 0.42
POLB P06746 1/20 0.42
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GAA P10253 3/20 0.40
CXCL8 P10145 1/20 0.38
NOD2 Q9HC29 1/20 0.38
LMNA P02545 2/20 0.37
PKM P14618 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SLC9A1 P19634 1/20 0.37
ALPL P05186 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 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 0.86 ALDH3A1 (0.40) ALDH3A1L3MBTL1HTTNOD1POLB
SCHEMBL30877494 0.78 ALDH1A1 (0.34) ALDH3A1L3MBTL1HTTNOD1POLB
SCHEMBL29131767 0.72 ALDH1A1 (0.40) L3MBTL1ALDH1A1PKMNPC1
SCHEMBL30877448 0.70 ALDH1A1 (0.46) ALDH3A1L3MBTL1HTTNOD1POLB
SCHEMBL30877349 0.70 ALDH1A1 (0.38) ALDH3A1L3MBTL1HTTNOD1POLB
SCHEMBL30877402 0.70 ALDH1A1 (0.38) ALDH3A1L3MBTL1HTTNOD1POLB
SCHEMBL30877366 0.70 L3MBTL1 (0.42) ALDH3A1L3MBTL1HTTNOD1POLB
SCHEMBL30877459 0.69 ALDH1A1 (0.45) ALDH3A1L3MBTL1HTTNOD1POLB
SCHEMBL30877341 0.69 BRD4 (0.38) ALDH3A1L3MBTL1HTTNOD1POLB
SCHEMBL30877462 0.69 ALDH1A1 (0.42) ALDH3A1L3MBTL1HTTNOD1POLB

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