SCHEMBL8068689

SCHEMBL8068689

COc1cc2nc(-c3cccs3)oc(=O)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 1.00
MAPK1 P28482 2/20 1.00
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 6/20 0.65
HPGD P15428 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
CYP1A2 P05177 1/20 0.62
CYP2C19 P33261 1/20 0.62
F2 P00734 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
MAPT P10636 2/20 0.60
GAA P10253 1/20 0.60
KLK7 P49862 7/20 0.59
KLK14 Q9P0G3 7/20 0.59
KLK5 Q9Y337 7/20 0.59
CTSG P08311 6/20 0.59
CTRC Q99895 2/20 0.57
PTK2B Q14289 1/20 0.57
RPS6KB2 Q9UBS0 2/20 0.55

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
SCHEMBL12360752 0.84 HSD17B10 (0.72) HSD17B10MAPK1ALDH1A1KDM4EHPGD
SCHEMBL8070379 0.84 KDM4E (0.75) HSD17B10MAPK1ALDH1A1KDM4EHPGD
SCHEMBL8059761 0.84 MAPK1 (0.72) HSD17B10MAPK1ALDH1A1KDM4EHPGD
SCHEMBL8068649 0.81 HSD17B10 (0.69) HSD17B10MAPK1ALDH1A1KDM4EHPGD
SCHEMBL915806 0.80 HSD17B10 (0.67) HSD17B10MAPK1ALDH1A1KDM4EHPGD
SCHEMBL8070396 0.80 HSD17B10 (0.66) HSD17B10MAPK1ALDH1A1KDM4EHPGD
SCHEMBL8059748 0.80 HSD17B10 (0.66) HSD17B10MAPK1ALDH1A1KDM4EHPGD
SCHEMBL22952908 0.79 KLK7 (0.67) HSD17B10MAPK1ALDH1A1KDM4EHPGD
SCHEMBL913449 0.79 ALDH1A1 (1.00) HSD17B10MAPK1ALDH1A1KDM4EHPGD
SCHEMBL8499615 0.79 KMT2A (0.70) HSD17B10MAPK1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6150372-A IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES; BLOCKING INTRACELLULAR SIGNAL TRANSDUCTION AND ACTIVATION OF TRANSCRIPTION FACTORS; KINASE INHIBITORS; ANTIARTHRITIC, ISCHEMIC AGENTS, MULTIPLE SCLEROSIS, TRANSPLANT REJECTION SIGNAL PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5939421-A TREATMENT OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, TRANSPLANT REJECTION; INHIBIT KINASE(S) THAT REGULATE ACTIVATION OF TRANSCRIPTION FACTORS TO PREVENT PRODUCTION OF INFLAMMATORY PROTEINS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-17 US disclosed
WO-1999001441-A1 QUINAZOLINE ANALOGS AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1999-01-14 WO disclosed