SCHEMBL29248231

SCHEMBL29248231

COc1ccc(CSc2cnc3ccn(C(=O)O)c3c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.43
▸ APP P05067 1/20 0.43
▸ DAO P14920 2/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MCL1 Q07820 1/20 0.40
▸ MAOB P27338 3/20 0.40
▸ MAOA P21397 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2E1 P05181 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C8 P10632 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL25702072 0.86 APP (0.39) PTGDR2APPDAOFFAR1MAPT
SCHEMBL21353203 0.86 PTGDR2 (0.39) PTGDR2DAOMAPTKDM4EALDH1A1
SCHEMBL29248197 0.80 DAO (0.42) PTGDR2APPDAOFFAR1MAPT
SCHEMBL22158223 0.78 ALDH1A1 (0.41) ALDH1A1HPGDHTT
SCHEMBL29248218 0.78 PTGDR2 (0.43) PTGDR2DAOFFAR1MAPTGAA
SCHEMBL21064287 0.76 HTR2C (0.42) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL29650244 0.76 HTR2C (0.42) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL30199691 0.76 TSHR (0.41) MAPTKDM4EALDH1A1ALOX15CYP3A4
SCHEMBL29248206 0.76 PTGDR2 (0.43) PTGDR2DAOFFAR1MAPTGAA
SCHEMBL10661250 0.70 FFAR1 (0.56) APPDAOFFAR1MAPTGAA

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-118317950-A Sulfonamide compounds for the treatment of neurological disorders 拉里奥治疗有限公司 2024-07-09 — — CN disclosed
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