SCHEMBL7303363

SCHEMBL7303363

COc1ccc(Cl)c([C]=O)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 2/20 0.41
S1PR4 O95977 1/20 0.41
HSP90AA1 P07900 1/20 0.41
G6PD P11413 1/20 0.41
S1PR1 P21453 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
MCL1 Q07820 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
TLR9 Q9NR96 1/20 0.41
ALDH1A1 P00352 10/20 0.40
LMNA P02545 1/20 0.40
CLCN2 P51788 1/20 0.40
KMT2A Q03164 2/20 0.37

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
SCHEMBL27512917 0.80 ALDH1A1 (0.43) MAPTMAPK1NPSR1KDM4ERAB9A
SCHEMBL9113536 0.78 GRIA1 (0.42) MAPTMAPK1NPSR1KDM4ERAB9A
SCHEMBL1312475 0.77 MAPK1 (0.36) MAPK1CYP3A4TDP1
SCHEMBL465566 0.77 ALDH1A1 (0.47) MAPK1KDM4EALDH1A1KMT2AHTR2A
SCHEMBL30715275 0.75 ALDH1A1 (0.46) MAPTMAPK1NPSR1KDM4ERAB9A
SCHEMBL53547 0.75 ALDH1A1 (0.46) MAPTMAPK1NPSR1KDM4ERAB9A
SCHEMBL909850 0.74 LMNA (0.38) MAPTMAPK1ALDH1A1LMNACLCN2
SCHEMBL14339474 0.74 KDM4E (0.50) MAPTMAPK1NPSR1KDM4ERAB9A
SCHEMBL374359 0.73 ALDH1A1 (0.42) MAPTMAPK1NPSR1KDM4ERAB9A
SCHEMBL7313229 0.72 KDM4E (0.44) MAPTMAPK1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5773456-A EMPHYSEMA, RHEUMATOID ARTHRITIS AND PANCREATITIS SANOFI (FR) 1998-06-30 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