SCHEMBL26907998

SCHEMBL26907998

COc1ccc2c(c1)nnn2-c1ccc([C@H](C)S(=O)(=O)NC(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ GPR139 Q6DWJ6 3/20 0.39
▸ HPGD P15428 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ PTGS1 P23219 2/20 0.37
▸ AKR1C3 P42330 2/20 0.37
▸ AKR1C2 P52895 2/20 0.37
▸ CDC42 P60953 1/20 0.37
▸ RAC1 P63000 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SLC22A6 Q4U2R8 1/20 0.37
▸ NR1I2 O75469 3/20 0.36
▸ NPC1 O15118 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
SCHEMBL26907899 0.88 BRD4 (0.38) MAPTSMN1; SMN2POLBLMNAGPR139
SCHEMBL29069567 0.80 ALDH1A1 (0.46) MAPTSMN1; SMN2POLBLMNAHPGD
SCHEMBL27114611 0.78 CA1 (0.57) MAPTSMN1; SMN2POLBGPR139L3MBTL1
SCHEMBL29769966 0.76 CA1 (0.43) MAPTSMN1; SMN2POLBLMNAGPR139
Hydrochloric Acid SCHEMBL26907885 0.76 KDM4E (0.42) MAPTSMN1; SMN2POLBLMNAGPR139
Hydrochloric Acid SCHEMBL29770007 0.76 KDM4E (0.42) MAPTSMN1; SMN2POLBLMNAGPR139
Hydrochloric Acid SCHEMBL27115889 0.76 KDM4E (0.42) MAPTSMN1; SMN2POLBLMNAGPR139
SCHEMBL29069555 0.75 GPR139 (0.41) MAPTSMN1; SMN2POLBLMNAGPR139
SCHEMBL30547567 0.75 GPR139 (0.41) MAPTSMN1; SMN2POLBLMNAGPR139
SCHEMBL26907981 0.75 GPR139 (0.41) MAPTSMN1; SMN2POLBLMNAGPR139

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-116724026-A Novel benzotriazole derivatives having inhibitory activity against dinucleotide pyrophosphatase-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-09-08 — — CN claimed
EP-4286374-A1 NOVEL BENZOTRIAZOLE DERIVATIVE HAVING INHIBITORY ACTIVITY AGAINST ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE, AND USE THEREOF Txinno Bioscience Inc. (KR) 2023-12-06 — — EP disclosed
CN-116724026-A Novel benzotriazole derivatives having inhibitory activity against dinucleotide pyrophosphatase-phosphodiesterase and use thereof 谛希诺生物科技有限公司 2023-09-08 — — CN disclosed
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