SCHEMBL31037014

SCHEMBL31037014

CCC(=O)Nc1c[nH]c(-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 1/20 0.54
▸ MAPT P10636 4/20 0.51
▸ GAA P10253 2/20 0.51
▸ ALDH1A1 P00352 6/20 0.51
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ HPGD P15428 2/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ RAB9A P51151 5/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ ADORA3 P0DMS8 3/20 0.49
▸ ADORA2A P29274 3/20 0.49
▸ ADORA2B P29275 2/20 0.49
▸ ADORA1 P30542 2/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ CYP3A4 P08684 3/20 0.48
▸ CYP2D6 P10635 3/20 0.48
▸ CYP2C19 P33261 3/20 0.48
▸ CYP1A2 P05177 2/20 0.48
▸ USP2 O75604 1/20 0.48

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
SCHEMBL23719154 0.80 TP53 (0.57) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL22828234 0.75 CNR1 (0.47) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL23719153 0.75 KMT2A (0.52) MAPTGAAMEN1KMT2ARAB9A
SCHEMBL16201474 0.75 KMT2A (0.77) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL8404715 0.74 L3MBTL1 (0.67) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL22828386 0.74 RAB9A (0.43) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL9706 0.74 MAPT (0.85) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL22828396 0.73 STING1 (0.41) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL11340463 0.73 GAA (0.81) MAPTGAAALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL3308284 0.73 GAA (0.81) MAPTGAAALDH1A1MEN1KMT2A

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-118561801-A Benzo [ d ] [1,3] dioxoles compound, preparation method and application thereof 上海医药集团股份有限公司 2024-08-30 — — CN disclosed
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