SCHEMBL8070477

SCHEMBL8070477

Oc1nc(-c2cccs2)nc2cccc(F)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.45
GBA1 P04062 7/20 0.45
KDM4E B2RXH2 7/20 0.45
ALDH1A1 P00352 6/20 0.45
LMNA P02545 3/20 0.44
HPGD P15428 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
PDE5A O76074 2/20 0.42
GAA P10253 2/20 0.40
XPO1 O14980 2/20 0.40
RECQL P46063 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
RPS6KB2 Q9UBS0 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8071071 0.82 MAPT (0.45) MAPTGBA1KDM4EALDH1A1LMNA
SCHEMBL8070557 0.82 MAPT (0.43) MAPTGBA1KDM4EALDH1A1LMNA
SCHEMBL8059496 0.82 PDE5A (0.42) MAPTGBA1KDM4EALDH1A1LMNA
SCHEMBL8070472 0.79 XPO1 (0.58) MAPTGBA1KDM4EALDH1A1LMNA
SCHEMBL8059658 0.75 MAPT (0.61) MAPTGBA1KDM4EALDH1A1LMNA
SCHEMBL14095195 0.72 ADORA2A (0.50) MAPTGBA1KDM4EALDH1A1LMNA
SCHEMBL8068858 0.70 PDE5A (0.43) MAPTGBA1KDM4EALDH1A1LMNA
SCHEMBL13975880 0.69 KCNH2 (0.46)
SCHEMBL19148655 0.69 KDM4E (0.58) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL8068698 0.69 ALDH1A1 (0.62) MAPTKDM4EALDH1A1HPGDGAA

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