SCHEMBL8588995

SCHEMBL8588995

CSc1ccc(CCCC(=S)Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.39
MAOA P21397 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MMP12 P39900 1/20 0.38
MMP13 P45452 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL10695915 0.82 MMP12 (0.44) SLC6A4MAOASLC6A2SLC6A3MMP12
SCHEMBL29641615 0.79 IGF1R (0.47) CYP1A2ALDH1A1
SCHEMBL46638 0.76 HSD17B10 (0.61) SLC6A3MMP12MMP13CYP1A2CYP2C19
SCHEMBL81913 0.75 SLC6A4 (0.51) SLC6A4MAOASLC6A2SLC6A3MMP12
SCHEMBL4460695 0.75 SLC6A4 (0.45) SLC6A4MAOASLC6A2SLC6A3MMP12
SCHEMBL11536514 0.75 HDAC1 (0.57) MAOASLC6A3RAB9ASMN1; SMN2
SCHEMBL8540107 0.74 MMP12 (0.46) SLC6A4MAOASLC6A2SLC6A3MMP12
SCHEMBL10488106 0.73 CYP4A11 (0.49) SLC6A4MAOASLC6A2SLC6A3MMP12
SCHEMBL8641530 0.72 CA2 (0.50) SLC6A4MAOASLC6A2SLC6A3ALDH1A1
SCHEMBL25917988 0.72 SLC6A4 (0.42) SLC6A4MAOASLC6A2SLC6A3MMP12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0594857-B1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 1998-04-29 EP disclosed
US-5683992-A TREATMENT OF RHEUMATISM, BONE DISORDERS, ANTIINFLAMMATORY, SUPPRESSION OF INTERLEUKIN-1, ANTIOXIDANT, TREATMENT OF AUTOIMMUNE DISEASES TORAY INDUSTRIES, INC. (JP) 1997-11-04 US disclosed
US-5527940-A SUPPRESSES INTERLEUKIN-1 AND BONE DESTRUCTION DURING OSTEOPOROSIS; ANTIINFLAMMATORY AGENTS TORAY INDUSTRIES, INC. (JP) 1996-06-18 US disclosed
EP-0594857-A1 METHANEDIPHOSPHONIC ACID DERIVATIVE, PRODUCTION THEREOF AND MEDICINAL USE THEREOF TORAY INDUSTRIES, INC. (JP) 1994-05-04 EP disclosed