SCHEMBL6505829

SCHEMBL6505829

CCc1sc(-c2cccs2)nc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.56
ALDH1A1 P00352 8/20 0.50
RAB9A P51151 5/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
RXFP1 Q9HBX9 2/20 0.48
PPARG P37231 1/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
GAA P10253 1/20 0.48
ERCC1 P07992 2/20 0.44
FEN1 P39748 2/20 0.44
ERCC4 Q92889 2/20 0.44
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
NPC1 O15118 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL6496780 0.81 KDM4E (0.64) KDM4EALDH1A1RAB9AL3MBTL1RXFP1
SCHEMBL6602729 0.79 L3MBTL1 (0.74) KDM4EALDH1A1L3MBTL1
SCHEMBL5238288 0.77 L3MBTL1 (0.58) KDM4EALDH1A1L3MBTL1HPGD
SCHEMBL13453775 0.75 HDAC3 (0.58) L3MBTL1
SCHEMBL6502484 0.74 L3MBTL1 (0.58) KDM4EALDH1A1RAB9AL3MBTL1GAA
SCHEMBL6427866 0.73 KDM4E (0.57) KDM4EALDH1A1RAB9AL3MBTL1GAA
SCHEMBL6495873 0.73 ALDH1A1 (0.55) KDM4EALDH1A1RAB9AL3MBTL1RXFP1
SCHEMBL13174890 0.73 FBP1 (0.53) KDM4EALDH1A1RAB9ARXFP1PPARG
SCHEMBL6503373 0.72 L3MBTL1 (0.57) KDM4EALDH1A1RAB9AL3MBTL1GAA
SCHEMBL6431720 0.72 L3MBTL1 (0.56) KDM4EALDH1A1RAB9AL3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240175141-A1 BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION ZestBio, Inc. 2024-05-30 US disclosed
WO-2024081967-A2 BIOBASED AND BIODEGRADABLE CORROSION INHIBITION COMPOSITION ZestBio, Inc. (US) 2024-04-18 WO disclosed
CN-1228327-C Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2005-11-23 CN disclosed
US-6884821-B1 Carboxylic acid derivatives and drugs containing the same EISAI CO., LTD. (JP) 2005-04-26 US disclosed
CN-1377336-A Carboxylic acid derivatives and drugs containing the same EISAI CO LTD (JP) 2002-10-30 CN disclosed
EP-1216980-A1 CARBOXYLIC ACID DERIVATIVES AND DRUGS CONTAINING THE SAME Eisai Co., Ltd. (JP) 2002-06-26 EP disclosed