SCHEMBL5807922

SCHEMBL5807922

Nc1ccc2c(=O)[nH]sc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
MAPT P10636 4/20 0.61
LMNA P02545 3/20 0.61
POLB P06746 2/20 0.61
HTT P42858 2/20 0.53
KDM4E B2RXH2 2/20 0.53
DDAH1 O94760 1/20 0.53
CASP3 P42574 1/20 0.53
CACNA1B Q00975 1/20 0.53
APBA1 Q02410 1/20 0.53
MAOA P21397 1/20 0.46
PARP1 P09874 3/20 0.43
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
TYMS P04818 2/20 0.36
NPC1 O15118 2/20 0.34
PTPRC P08575 2/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4722581 0.84 MAPT (0.53) ALDH1A1MAPTLMNAPOLBHTT
Ticlatone SCHEMBL30165586 0.76 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL81346 0.76 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL13455388 0.76 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL8130952 0.76 ALDH1A1 (1.00) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL11737600 0.76 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPOLBHTT
Ticlatone SCHEMBL193888 0.76 ALDH1A1 (0.61) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL482652 0.74 ALDH1A1 (0.54) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL17782899 0.72 MAPT (0.61) ALDH1A1MAPTLMNAPOLBHTT
SCHEMBL6152844 0.72 ALDH1A1 (0.56) ALDH1A1MAPTLMNAPOLBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113930117-B Simple construction artistic coating and preparation method thereof 广东美涂士建材股份有限公司 2022-05-06 CN claimed
CN-113930117-A Simple construction artistic coating and preparation method thereof 广东美涂士建材股份有限公司 2022-01-14 CN claimed
CN-113930117-B Simple construction artistic coating and preparation method thereof 广东美涂士建材股份有限公司 2022-05-06 CN disclosed
CN-113930117-A Simple construction artistic coating and preparation method thereof 广东美涂士建材股份有限公司 2022-01-14 CN disclosed
WO-2006129100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2006-12-07 WO disclosed