SCHEMBL7656843

SCHEMBL7656843

COc1ccc(CCNC(=O)C(C(=O)NCCc2ccc(OC)c(OC)c2)c2ccsc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
LMNA P02545 2/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
ALDH1A1 P00352 4/20 0.53
NAMPT P43490 2/20 0.53
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL7656840 0.94 CA12 (0.52) CA12CA1CA2CA9LMNA
SCHEMBL9059137 0.90 CA12 (0.54) CA12CA1CA2CA9LMNA
SCHEMBL7442139 0.82 KMT2A (0.66) CA12CA1CA2CA9LMNA
SCHEMBL8428854 0.79 ALDH1A1 (0.61) CA12CA1CA2CA9KMT2A
SCHEMBL3345207 0.79 CA12 (0.68) CA12CA1CA2CA9LMNA
SCHEMBL8428853 0.77 MEN1 (0.62) CA12CA1CA2CA9LMNA
SCHEMBL11807890 0.77 ALDH1A1 (0.65) CA12CA1CA2CA9LMNA
SCHEMBL23417613 0.76 CA12 (0.64) CA12CA1CA2CA9LMNA
SCHEMBL742343 0.76 KMT2A (0.71) CA12CA1CA2CA9KMT2A
SCHEMBL7654597 0.75 CA12 (0.63) CA12CA1CA2CA9LMNA

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-6465483-B1 TREATING OR PREVENTING STROKES; CHRONIC INFLAMMATORY DISORDERS SUCH AS BRONCHIAL ASTHMA AND ARTHRITIS; ANTIPROLIFERATIVE EFFECT; ULCERATIVE COLITIS AND CROHN'S DISEASE BOEHRINGER INGELHEIM GMBH (DE) 2002-10-15 US disclosed
US-6180645-B1 ANTIEPILEPIC AGENT BOEHRINGER INGELHEIM GMBH (DE) 2001-01-30 US disclosed
EP-0736012-B1 ANELLATED DIHYDROPYRIDINES AND THEIR USE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS BOEHRINGER INGELHEIM PHARMA (DE) 2000-11-22 EP disclosed
US-5607943-A CARDIOPROTECTIVE, CEREBROPROTECTIVE, ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM GMBH (DE) 1997-03-04 US disclosed
EP-0736012-A1 ANELLATED DIHYDROPYRIDINES AND THEIR USE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS BOEHRINGER INGELHEIM KG (DE) 1996-10-09 EP disclosed
WO-1995017388-A1 ANELLATED DIHYDROPYRIDINES AND THEIR USE IN THE PRODUCTION OF PHARMACEUTICAL PREPARATIONS BOEHRINGER INGELHEIM KG (DE) 1995-06-29 WO disclosed