SCHEMBL9436697

SCHEMBL9436697

COC(=S)c1ccc(C)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 7/20 0.48
NPC1 O15118 6/20 0.48
RAB9A P51151 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.44
LMNA P02545 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
ACHE P22303 1/20 0.40

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
SCHEMBL6100007 0.80 CA12 (0.54) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1743889 0.78 ALDH1A1 (0.52) ALDH1A1RAB9ASMN1; SMN2GAALMNA
SCHEMBL15222302 0.78 MAOA (0.46) NPC1RAB9ASMN1; SMN2GAALMNA
SCHEMBL11121048 0.78 CA1 (0.56) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL9555499 0.78 HPGD (0.45) ALDH1A1NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL1478850 0.78 ALDH1A1 (0.42) TDP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL812710 0.77 TSHR (0.52) TDP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL27907722 0.76 CA1 (0.61) TDP1ALDH1A1RAB9ASMN1; SMN2HPGD
SCHEMBL27922085 0.76 KMT2A (0.42) TDP1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5380375 0.75 TPMT (0.42) TDP1ALDH1A1GAALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079778-A Method for synthesizing 2, 3-diaryl tartaric acid ester by photochemistry reduction coupling aryl alpha-ketoester 2026-05-26 CN disclosed
CN-115160098-B Oxygen-containing compound deoxidization methylation method 中国科学院兰州化学物理研究所 2023-06-06 CN disclosed
CN-115160098-A Oxygen-containing compound deoxidation and methylation method 中国科学院兰州化学物理研究所 2022-10-11 CN disclosed
CN-1960967-B Triketone-based compound, method for producing the same and herbicide containing the same ISHIHARA SANGYO KAISHA 2010-12-29 CN disclosed
CN-1960967-A Triketone-based compound, method for producing the same and herbicide containing the same ISHIHARA SANGYO KAISHA (JP) 2007-05-09 CN disclosed
CN-1390193-A Novel dicarboxylic acid derivatives with pharmaceutical properties BAYER AG (DE) 2003-01-08 CN disclosed
CN-1049888-C Benzoylguanidine, process for preparing same, their use as medicine and medicine containing same HOECHST AG (DE) 2000-03-01 CN disclosed
US-5292755-A USPA benzolyguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-08 US disclosed
US-5091394-A BENZOYLGUANIDINES, A PROCESS FOR THEIR PREPARATION, THEIR USE AS MEDICAMENTS AND MEDICAMENTS CONTAINING THEM HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
CN-1050018-A Benzoylguanidines, they the preparation method, they are as the application of medicament and the medicament that contains them HOECHST AG (DE) 1991-03-20 CN disclosed