SCHEMBL30547567

SCHEMBL30547567

COc1ccc2c(c1)nnn2-c1ccc([C@H](C)N[SH](=O)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR139 Q6DWJ6 12/20 0.41
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PLK1 P53350 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ NR3C1 P04150 1/20 0.36
▸ MAPK6 Q16659 1/20 0.36
▸ NPBWR1 P48145 2/20 0.35
▸ MCHR1 Q99705 2/20 0.35

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
SCHEMBL26907981 1.00 GPR139 (0.41) GPR139POLBMAPTSMN1; SMN2PLK1
SCHEMBL29069555 1.00 GPR139 (0.41) GPR139POLBMAPTSMN1; SMN2PLK1
SCHEMBL27114611 0.82 CA1 (0.57) GPR139POLBMAPTSMN1; SMN2MAPK6
Hydrochloric Acid SCHEMBL26907910 0.80 MAPT (0.41) MAPTSMN1; SMN2LMNAMAPK6
Hydrochloric Acid SCHEMBL26907885 0.80 KDM4E (0.42) GPR139POLBMAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL29770007 0.80 KDM4E (0.42) GPR139POLBMAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL27115889 0.80 KDM4E (0.42) GPR139POLBMAPTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL26907872 0.77 SMO (0.40) POLBMAPTSMN1; SMN2LMNAMAPK6
Hydrochloric Acid SCHEMBL26907994 0.76 NQO1 (0.41) GPR139POLBMAPTSMN1; SMN2LMNA
SCHEMBL26907998 0.75 MAPT (0.42) GPR139POLBMAPTSMN1; SMN2LMNA

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 2 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
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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