SCHEMBL8071071

SCHEMBL8071071

Fc1cccc2nc(-c3cccs3)nc(Cl)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.45
ALDH1A1 P00352 6/20 0.45
GBA1 P04062 6/20 0.45
KDM4E B2RXH2 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
TP53 P04637 1/20 0.42
PDE5A O76074 2/20 0.42
XPO1 O14980 2/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL8068858 0.85 PDE5A (0.43) MAPTALDH1A1GBA1KDM4ELMNA
SCHEMBL8070444 0.82 KDM4E (0.43) MAPTALDH1A1GBA1KDM4ELMNA
SCHEMBL8070477 0.82 MAPT (0.45) MAPTALDH1A1GBA1KDM4ELMNA
SCHEMBL8070655 0.79 XPO1 (0.58) MAPTALDH1A1GBA1KDM4ELMNA
SCHEMBL7285850 0.75 PDE5A (0.60) MAPTALDH1A1GBA1KDM4ELMNA
SCHEMBL38652109 0.75 PDE5A (0.60) MAPTALDH1A1GBA1KDM4ELMNA
SCHEMBL8059496 0.73 PDE5A (0.42) MAPTALDH1A1GBA1KDM4ELMNA
SCHEMBL14095493 0.73 ADORA2A (0.59) MAPTALDH1A1GBA1KDM4ELMNA
SCHEMBL1995692 0.72 PARP1 (0.42) TDP1NPC1RAB9A
SCHEMBL29909242 0.72 PARP1 (0.42) TDP1NPC1RAB9A

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