SCHEMBL28299324

SCHEMBL28299324

c1ccc(CSc2ncc3ccccc3n2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.55
RAB9A P51151 10/20 0.49
NPC1 O15118 7/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 4/20 0.45
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
HIF1A Q16665 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TP53 P04637 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL28873710 0.98 HSD17B10 (0.53) HSD17B10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL15659227 0.75 KDM4E (0.45) NPC1ALDH1A1MAPTHPGDCYP1A2
SCHEMBL13752162 0.75 RAB9A (0.70) HSD17B10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL14699551 0.75 L3MBTL1 (0.57) RAB9AALDH1A1TDP1HTTMAPT
SCHEMBL6639975 0.75 HSD17B10 (0.53) HSD17B10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL4974907 0.74 CDC7 (0.50) HSD17B10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL28172564 0.73 TLR8 (0.39) HSD17B10RAB9ANPC1ALDH1A1TDP1
SCHEMBL10975367 0.73 HSD17B10 (0.66) HSD17B10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL10973574 0.73 HSD17B10 (0.66) HSD17B10RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7508433 0.72 HSD17B10 (0.50) HSD17B10RAB9ANPC1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110327344-A Quianzolinones are in preparation with tumour in relation to the application in terms of drug 徐州医科大学 2019-10-15 CN disclosed
CN-109748910-A A kind of quianzolinones, preparation method and medical usage 徐州医科大学 2019-05-14 CN disclosed