SCHEMBL7312043

SCHEMBL7312043

[c]1nnc(CCN2CCCCC2)s1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
CYP2D6 P10635 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
HRH3 Q9Y5N1 9/20 0.38
SIGMAR1 Q99720 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SLC6A3 Q01959 1/20 0.35
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
HRH4 Q9H3N8 2/20 0.34

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
SCHEMBL7311381 0.71 ALOX15 (0.42) L3MBTL1MEN1KMT2AHRH3ALDH1A1
SCHEMBL11907724 0.69 L3MBTL1 (0.67) L3MBTL1CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL11925520 0.68 L3MBTL1 (1.00) L3MBTL1CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL8626433 0.66
SCHEMBL1028444 0.66
SCHEMBL11908467 0.66 L3MBTL1 (0.96) L3MBTL1CYP2D6MEN1KMT2ASMN1; SMN2
SCHEMBL11685688 0.64 ALDH1A1 (0.41) L3MBTL1MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL8632037 0.63 ALDH1A1 (0.44) L3MBTL1SMN1; SMN2HRH3ALDH1A1
SCHEMBL11353355 0.62
SCHEMBL1854770 0.61 CYP1A2 (0.43) L3MBTL1CYP1A2CYP3A4HRH3SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371074-A Use of saccharin derivatives as proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1994-12-06 US claimed
EP-0542372-A1 2-Substituted saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP claimed
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 US disclosed
US-RE35754-E FOR TREATING BACTERIAL INFECTIONS HOECHST AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed
US-5710146-A ANTIBIOTICS FOR BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1998-01-20 US disclosed
US-5578623-A DRUGS FOR TREATMENT OF ARTHRITIS, PANCREATITIS, CYSTIC FIBROSIS, BRONCHITIS, RESPIRATORY DISORDERS STERLING WINTHROP INC. (US) 1996-11-26 US disclosed
US-5464852-A Used in treatment of degenerative diseases STERLING WINTHROP INC. (US) 1995-11-07 US disclosed
US-5380737-A Enzyme inhibitors STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0542371-A1 Saccharin derivative proteolytic enzyme inhibitors STERLING WINTHROP INC. (US) 1993-05-19 EP disclosed
US-5089490-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-18 US disclosed
US-4758556-A Cephem derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-19 US disclosed
US-4399131-A Cephem derivatives HOECHST AG (DE) 1983-08-16 US disclosed
US-4278793-A ANTIBIOTICS, BACTERICIDES HOECHST AKTIENGESELLSCHAFT (DE) 1981-07-14 US disclosed