SCHEMBL8068757

SCHEMBL8068757

Oc1nc(-c2cccs2)nc2cc(Cl)ccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 7/20 0.47
KDM4E B2RXH2 7/20 0.45
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.44
RPS6KB2 Q9UBS0 1/20 0.42
PDE5A O76074 2/20 0.41
GAA P10253 4/20 0.40
MEN1 O00255 2/20 0.40
HTT P42858 2/20 0.40
KMT2A Q03164 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
LMNA P02545 1/20 0.39
ABCG2 Q9UNQ0 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
SCHEMBL8059658 0.80 MAPT (0.61) GBA1KDM4EMAPTALDH1A1PDE5A
SCHEMBL8059487 0.80 KDM1A (0.51) GBA1KDM4EMAPTALDH1A1RPS6KB2
SCHEMBL8070560 0.80 KDM4E (0.52) GBA1KDM4EMAPTALDH1A1RPS6KB2
SCHEMBL19895346 0.76 NPC1 (0.54) GBA1MAPTPDE5AGAAHTT
SCHEMBL8070339 0.75 RPS6KB2 (0.57) GBA1KDM4EMAPTALDH1A1RPS6KB2
SCHEMBL8059496 0.72 PDE5A (0.42) GBA1KDM4EMAPTALDH1A1RPS6KB2
SCHEMBL8059785 0.71 KDM4E (0.55) GBA1KDM4EMAPTALDH1A1GAA
SCHEMBL14095195 0.71 ADORA2A (0.50) GBA1KDM4EMAPTALDH1A1RPS6KB2
SCHEMBL5026243 0.70 KDM4E (0.48) KDM4EMAPTALDH1A1RPS6KB2PDE5A
SCHEMBL914097 0.69 ALDH1A1 (0.81) KDM4EMAPTALDH1A1GAAMEN1

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