SCHEMBL8797403

SCHEMBL8797403

CSc1ccc(-c2csc(-c3ccc(C)n3C)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
SREBF2 Q12772 2/20 0.41
NPC1 O15118 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
BRCA1 P38398 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AR P10275 1/20 0.38
MAPK13 O15264 2/20 0.38
GCGR P47871 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 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
SCHEMBL14360472 0.76 MAPK13 (0.39) KDM4ERAB9ANPC1ALDH1A1HPGD
SCHEMBL7842727 0.75 MAPK13 (0.40) KDM4ESMN1; SMN2ALDH1A1HPGDMAPK13
SCHEMBL8797404 0.72 TDP2 (0.35) KDM4ERAB9ASMN1; SMN2SREBF2NPC1
SCHEMBL4866814 0.70 ALDH1A1 (0.59) KDM4ERAB9ASMN1; SMN2NPC1MEN1
SCHEMBL10967586 0.64 ABL1 (0.55) KDM4ERAB9ASMN1; SMN2NPC1MEN1
SCHEMBL28327240 0.64 KDM4E (0.86) KDM4ERAB9ASMN1; SMN2SREBF2NPC1
SCHEMBL17014757 0.62 AR (0.69) KDM4ERAB9ASMN1; SMN2NPC1MEN1
SCHEMBL14996562 0.62 ADORA3 (0.40) KDM4ERAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL10810267 0.62 MAPT (0.59) RAB9ASMN1; SMN2MEN1ALDH1A1KMT2A
SCHEMBL4875896 0.61 ABL1 (0.70) KDM4ERAB9ASMN1; SMN2NPC1MEN1

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
EP-0772606-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1997-05-14 EP disclosed
WO-1996003392-A1 SUBSTITUTED THIAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-02-08 WO disclosed