SCHEMBL28677446

SCHEMBL28677446

CC(=O)c1ccc(-c2cc3ccccc3n2-c2cc(-c3ccccc3)cc3ccsc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KMT2A Q03164 3/20 0.36
▸ FASN P49327 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ APP P05067 1/20 0.34
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ NTRK3 Q16288 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 3/20 0.33
▸ THRB P10828 1/20 0.33

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
SCHEMBL29386586 1.00 HAO1 (0.42) HAO1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL28673356 0.88 KMT2A (0.42) HAO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29385162 0.88 KMT2A (0.42) HAO1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL28686520 0.84 MAPT (0.47) HAO1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL29429022 0.84 MAPT (0.47) HAO1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL29429030 0.84 MAPT (0.47) HAO1MAPTSMN1; SMN2ALDH1A1KDM4E
SCHEMBL29383553 0.81 ALOX5 (0.37) HAO1MAPTALDH1A1KDM4EHPGD
SCHEMBL28692969 0.81 ALOX5 (0.37) HAO1MAPTALDH1A1KDM4EHPGD
SCHEMBL28681075 0.78 KCNH2 (0.41) MAPTALDH1A1KDM4ENTRK1POLB
SCHEMBL28710769 0.77 AOC3 (0.43) NTRK1NTRK3

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-114031613-A 1- (benzo [ b ] thiophene-7-yl) -indole derivative and synthetic method thereof 湖南第一师范学院 2022-02-11 — — CN disclosed
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