SCHEMBL31006563

SCHEMBL31006563

Cc1ccc(S(=O)(=O)n2cc(I)c3ccc(C)nc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
ALDH3A1 P30838 2/20 0.43
POLB P06746 1/20 0.43
HTT P42858 1/20 0.43
NOD1 Q9Y239 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALDH1A1 P00352 2/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
UBE2N P61088 1/20 0.41
PKM P14618 1/20 0.41
BRD4 O60885 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
HTR6 P50406 1/20 0.38
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL29283857 1.00 L3MBTL1 (0.44) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL25419377 0.86 ALDH1A1 (0.43) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL30461664 0.86 ALDH1A1 (0.43) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL29605398 0.84 CA1 (0.50) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL30399721 0.80 HPGD (0.42) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL26176367 0.80 HPGD (0.42) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL12120920 0.80 ABL1 (0.44) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL13302164 0.79 L3MBTL1 (0.59) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL19250316 0.78 BRD4 (0.54) L3MBTL1ALDH3A1POLBHTTNOD1
SCHEMBL16854194 0.78 ALDH1A1 (0.43) L3MBTL1ALDH3A1POLBHTTNOD1

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
CN-118184650-A 6- (1H-pyrrolo [2,3-b ] pyridin-3-yl) quinazoline-4-amine derivative, and preparation method and application thereof 中国人民解放军北部战区总医院 2024-06-14 CN disclosed