SCHEMBL8059658

SCHEMBL8059658

Oc1nc(-c2cccs2)nc2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
KDM4E B2RXH2 7/20 0.61
PDE5A O76074 2/20 0.60
GBA1 P04062 9/20 0.58
ALDH1A1 P00352 5/20 0.56
MEN1 O00255 3/20 0.56
LMNA P02545 3/20 0.56
KMT2A Q03164 3/20 0.56
HTT P42858 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
GAA P10253 2/20 0.55
RECQL P46063 1/20 0.55
HPGD P15428 3/20 0.55
POLB P06746 2/20 0.55
ABCG2 Q9UNQ0 1/20 0.51
ADORA2A P29274 1/20 0.50
PAX8 Q06710 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
KDM1A O60341 1/20 0.50

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
SCHEMBL28013324 0.81 ADORA2A (0.69) MAPTKDM4EPDE5AGBA1ALDH1A1
SCHEMBL8068757 0.80 GBA1 (0.47) MAPTKDM4EPDE5AGBA1ALDH1A1
SCHEMBL38652109 0.80 PDE5A (0.60) MAPTKDM4EPDE5AGBA1ALDH1A1
SCHEMBL17803694 0.80 PDE5A (0.60) MAPTKDM4EPDE5AGBA1ALDH1A1
SCHEMBL7285850 0.80 PDE5A (0.60) MAPTKDM4EPDE5AGBA1ALDH1A1
SCHEMBL8059785 0.77 KDM4E (0.55) MAPTKDM4EGBA1ALDH1A1MEN1
SCHEMBL8070560 0.77 KDM4E (0.52) MAPTKDM4EGBA1ALDH1A1MEN1
SCHEMBL8059487 0.77 KDM1A (0.51) MAPTKDM4EPDE5AGBA1ALDH1A1
SCHEMBL14095195 0.77 ADORA2A (0.50) MAPTKDM4EPDE5AGBA1ALDH1A1
SCHEMBL6001187 0.76 TDP1 (0.70) MAPTKDM4EPDE5AGBA1ALDH1A1

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