SCHEMBL10696794

SCHEMBL10696794

O=c1c2ccccc2nc2sc(Br)cn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
HSD17B10 Q99714 4/20 0.49
HPGD P15428 4/20 0.49
LMNA P02545 3/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 4/20 0.47
GLA P06280 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 3/20 0.46
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
MAPK10 P53779 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
RXFP1 Q9HBX9 2/20 0.40
CYP1A2 P05177 2/20 0.40
CTDSP1 Q9GZU7 1/20 0.40

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
SCHEMBL10693610 0.81 KDM4E (0.54) KDM4ESMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL28345176 0.78 KDM4E (0.46) KDM4ESMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL10696374 0.78 KDM4E (0.49) KDM4ESMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL10695218 0.77 ELANE (0.40) SMN1; SMN2NPC1RAB9ALMNATP53
SCHEMBL9770643 0.77 ELANE (0.39) KDM4ESMN1; SMN2HSD17B10HPGDALDH1A1
SCHEMBL28345238 0.75 ALDH1A1 (0.50) KDM4ESMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL31396718 0.73 NPC1 (0.60) KDM4ESMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL18337434 0.73 NPC1 (0.60) KDM4ESMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL6704339 0.71 KDM4E (0.54) KDM4ESMN1; SMN2NPC1RAB9AHSD17B10
SCHEMBL28883171 0.70 KDM4E (0.61) KDM4ESMN1; SMN2NPC1RAB9AHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110862385-B Application of copper catalyst in preparation of thiazoloquinazolinone derivative through reaction of 1-thiazolylindole compound and tert-butyl nitrite 苏州大学 2020-12-08 CN disclosed
CN-110862385-A Application of copper catalyst in preparation of thiazoloquinazolinone derivative through reaction of 1-thiazolylindole compound and tert-butyl nitrite 苏州大学 2020-03-06 CN disclosed
CN-108774248-B Method for preparing thiazoloquinazolinone derivative 苏州大学 2020-01-14 CN disclosed
EP-0263523-A2 Process for the preparation of thiazolo [2,3-b] quinazolones BASF Aktiengesellschaft (DE) 1988-04-13 EP disclosed