SCHEMBL29197129

SCHEMBL29197129

Nc1nc(N)nc(N)n1.OB(O)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ ADORA2A P29274 4/20 0.43
▸ ADORA1 P30542 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ NUDT1 P36639 2/20 0.38
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ DCPS Q96C86 1/20 0.36
▸ MAOA P21397 1/20 0.35
▸ IKBKB O14920 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP1A2 P05177 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
SCHEMBL28337059 0.84 CA1 (0.46) CA1CA2MAOAALOX15ALDH1A1
SCHEMBL78440 0.84 CA1 (0.46) CA1CA2MAOAALOX15ALDH1A1
SCHEMBL28102434 0.84 CA1 (0.46) CA1CA2MAOAALOX15ALDH1A1
Benzene SCHEMBL28134938 0.84 CA1 (0.46) CA1CA2MAOAALOX15ALDH1A1
SCHEMBL187418 0.82 CA1 (0.44) CA1CA2ALOX15ALDH1A1LTA4H
Boric Acid SCHEMBL10356573 0.82 CA1 (0.44) CA1CA2ALOX15ALDH1A1LTA4H
SCHEMBL187987 0.82 CA1 (0.44) CA1CA2ALOX15ALDH1A1LTA4H
Ammonia Solution, Strong SCHEMBL4965987 0.82 CA1 (0.44) CA1CA2ALOX15ALDH1A1LTA4H
SCHEMBL31488700 0.82 CA1 (0.44) CA1CA2ALOX15ALDH1A1LTA4H
Ammonia Solution, Strong SCHEMBL4965992 0.82 CA1 (0.44) CA1CA2ALOX15ALDH1A1LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116285305-A Flame-retardant TPU composite material and preparation method thereof 福州大学 2023-06-23 — — CN claimed
CN-116285305-B Flame-retardant TPU composite material and preparation method thereof 福州大学 2025-11-07 — — CN disclosed
CN-116285305-A Flame-retardant TPU composite material and preparation method thereof 福州大学 2023-06-23 — — CN disclosed
CN-116285305-A Flame-retardant TPU composite material and preparation method thereof 福州大学 2023-06-23 — — CN disclosed
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