SCHEMBL8068649

SCHEMBL8068649

COc1cc2c(=O)oc(-c3cccs3)nc2c(OC)c1OC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.69
▸ MAPK1 P28482 2/20 0.69
▸ ALDH1A1 P00352 10/20 0.53
▸ KDM4E B2RXH2 9/20 0.53
▸ SMN1; SMN2 Q16637 6/20 0.53
▸ HPGD P15428 5/20 0.53
▸ GAA P10253 3/20 0.53
▸ MEN1 O00255 5/20 0.51
▸ KMT2A Q03164 5/20 0.51
▸ F2 P00734 1/20 0.51
▸ PDE4C Q08493 1/20 0.51
▸ CYP1A2 P05177 2/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 4/20 0.44
▸ RAB9A P51151 4/20 0.44
▸ TP53 P04637 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ CYP1A1 P04798 1/20 0.43

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
SCHEMBL8059748 0.81 HSD17B10 (0.66) HSD17B10MAPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8068689 0.81 HSD17B10 (1.00) HSD17B10MAPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17554026 0.77 ALDH1A1 (0.55) MAPK1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL17554069 0.76 C1R (0.52) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL17554078 0.75 MAPK1 (0.56) HSD17B10MAPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL914362 0.75 ALDH1A1 (0.67) HSD17B10MAPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8070457 0.74 ALDH1A1 (0.48) HSD17B10MAPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8070379 0.73 KDM4E (0.75) HSD17B10MAPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL29307853 0.73 HSD17B10 (0.58) HSD17B10MAPK1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL8059761 0.73 MAPK1 (0.72) HSD17B10MAPK1ALDH1A1KDM4ESMN1; SMN2

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
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