SCHEMBL29159713

SCHEMBL29159713

S=Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ MGLL Q99685 3/20 0.40
▸ HDAC8 Q9BY41 2/20 0.39
▸ KMO O15229 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ ALOX5 P09917 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ AGXT P21549 1/20 0.36
▸ MIF P14174 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HSD17B1 P14061 1/20 0.36
▸ HSD17B2 P37059 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL3181549 0.80 MAOA (0.48) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL13667833 0.77 ALDH1A1 (0.50) ALDH1A1MGLLALOX5CYP3A4
SCHEMBL13179896 0.76 MAOA (0.44) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL196158 0.76 — —
SCHEMBL31295587 0.76 MIF (0.64) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL28873813 0.73 — —
Fluoride SCHEMBL27663149 0.73 — —
SCHEMBL27428637 0.73 — —
SCHEMBL13754834 0.73 MAOA (0.41) MAOAALDH1A1MGLLHDAC8KMO
SCHEMBL17732365 0.73 MAOA (0.46) MAOAALDH1A1MGLLHDAC8KMO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115926218-B Aromatic imide film 宁波博雅聚力新材料科技有限公司 2024-06-21 — — CN disclosed
CN-114573811-B Imide slurry, synthesis method thereof and composition containing imide slurry 宁波博雅聚力新材料科技有限公司 2023-12-22 — — CN disclosed
CN-113881225-B Imide film and synthesis method thereof 宁波博雅聚力新材料科技有限公司 2023-09-29 — — CN disclosed
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