SCHEMBL8059487

SCHEMBL8059487

CN(C)c1ccc2c(O)nc(-c3cccs3)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.51
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 6/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NFKB1 P19838 2/20 0.40
NFKB2 Q00653 2/20 0.40
RELA Q04206 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
HCRTR1 O43613 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RPS6KB2 Q9UBS0 1/20 0.39
LMNA P02545 3/20 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
SCHEMBL8070453 0.84 KDM1A (0.51) KDM1ATDP1MAPTKDM4EMEN1
SCHEMBL8068757 0.80 GBA1 (0.47) TDP1MAPTKDM4EMEN1KMT2A
SCHEMBL8070560 0.79 KDM4E (0.52) MAPTKDM4EMEN1KMT2ANFKB1
SCHEMBL8059658 0.77 MAPT (0.61) KDM1ATDP1MAPTKDM4EMEN1
SCHEMBL8070339 0.75 RPS6KB2 (0.57) MAPTKDM4EMEN1KMT2AALDH1A1
SCHEMBL8059722 0.73 TDP1 (0.40) KDM1ATDP1MAPTKDM4EMEN1
SCHEMBL8059785 0.71 KDM4E (0.55) MAPTKDM4EMEN1KMT2ANFKB1
SCHEMBL14095195 0.68 ADORA2A (0.50) TDP1MAPTKDM4EMEN1KMT2A
SCHEMBL6001187 0.68 TDP1 (0.70) KDM1ATDP1MAPTKDM4EMEN1
SCHEMBL8070557 0.67 MAPT (0.43) TDP1MAPTKDM4EMEN1KMT2A

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