SCHEMBL28051084

SCHEMBL28051084

Cc1csc(NC(C)C(=O)O)c1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ MAPT P10636 2/20 0.33
▸ MCL1 Q07820 3/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ SCN1A P35498 1/20 0.31
▸ SCN2A Q99250 1/20 0.31
▸ SCN3A Q9NY46 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ BCL2 P10415 1/20 0.31

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
SCHEMBL16585740 1.00 ALDH1A1 (0.39) ALDH1A1MAPTMCL1CYP1A2CYP3A4
SCHEMBL10726725 0.77 MAPT (0.35) ALDH1A1MAPTPKMKDM4E
SCHEMBL2780499 0.75 ALDH1A1 (0.39) ALDH1A1PKMKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL6775496 0.74 ALDH1A1 (0.38) ALDH1A1PKMKDM4EL3MBTL1
SCHEMBL569818 0.70 ALDH1A1 (0.39) ALDH1A1
SCHEMBL1900149 0.68 POLB (0.43) ALDH1A1CYP1A2ATMPOLBL3MBTL1
SCHEMBL6264012 0.68 POLB (0.43) ALDH1A1CYP1A2ATMPOLBL3MBTL1
SCHEMBL4411485 0.68 POLB (0.43) ALDH1A1CYP1A2ATMPOLBL3MBTL1
SCHEMBL4411484 0.68 POLB (0.43) ALDH1A1CYP1A2ATMPOLBL3MBTL1
SCHEMBL24322196 0.68 MAPT (0.39) ALDH1A1MAPTHPGDPOLBTDP1

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-105636975-A Anti-inflammatory tripeptides DR AUGUST WOLFF GMBH & CO KG ARZNEIMITTEL 2016-06-01 — — CN claimed
CN-105636975-B Anti-inflammatory tripeptides 奥古斯特沃尔夫博士有限两合公司-医药 2019-06-25 — — CN disclosed
CN-105636975-A Anti-inflammatory tripeptides DR AUGUST WOLFF GMBH & CO KG ARZNEIMITTEL 2016-06-01 — — CN disclosed
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