SCHEMBL8070396

SCHEMBL8070396

COc1cccc2nc(-c3cccs3)oc(=O)c12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.66
MAPK1 P28482 1/20 0.66
ELANE P08246 4/20 0.59
ALDH1A1 P00352 5/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
HPGD P15428 2/20 0.58
F2 P00734 1/20 0.58
PDE4C Q08493 1/20 0.54
KDM4E B2RXH2 6/20 0.52
CASP1 P29466 2/20 0.51
XPO1 O14980 3/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
IKBKB O14920 1/20 0.47

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
SCHEMBL8068715 0.83 ALDH1A1 (0.62) HSD17B10MAPK1ELANEALDH1A1MEN1
SCHEMBL913508 0.81 ALDH1A1 (0.53) HSD17B10MAPK1ELANEALDH1A1MEN1
SCHEMBL8075316 0.80 ELANE (0.62) HSD17B10MAPK1ELANEALDH1A1MEN1
SCHEMBL8068698 0.80 ALDH1A1 (0.62) HSD17B10MAPK1ELANEALDH1A1MEN1
SCHEMBL8059748 0.80 HSD17B10 (0.66) HSD17B10MAPK1ALDH1A1MEN1KMT2A
SCHEMBL8068689 0.80 HSD17B10 (1.00) HSD17B10MAPK1ALDH1A1MEN1KMT2A
SCHEMBL31570210 0.79 ELANE (0.65) HSD17B10ELANEALDH1A1MEN1KMT2A
SCHEMBL6655585 0.79 ELANE (0.65) HSD17B10ELANEALDH1A1MEN1KMT2A
SCHEMBL914373 0.77 ALDH1A1 (0.58) HSD17B10MAPK1ELANEALDH1A1MEN1
SCHEMBL30937249 0.76 ALDH1A1 (0.65) ELANEALDH1A1MEN1KMT2ASMN1; 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