SCHEMBL9630241

SCHEMBL9630241

CCOC(=O)c1sc(N)c(C#N)c1C(=O)OCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.68
MAPT P10636 4/20 0.60
RAB9A P51151 2/20 0.60
NPC1 O15118 1/20 0.60
ADORA2A P29274 1/20 0.57
ALDH1A1 P00352 11/20 0.56
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
HPGD P15428 4/20 0.56
GAA P10253 4/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
HSD17B10 Q99714 3/20 0.54
MAPK1 P28482 2/20 0.54
ALOX15 P16050 1/20 0.54
KDM4E B2RXH2 3/20 0.52
FHIT P49789 1/20 0.51
TSHR P16473 1/20 0.50
BRCA1 P38398 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
RECQL P46063 1/20 0.47

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
SCHEMBL28809763 0.91 L3MBTL1 (0.61) L3MBTL1MAPTRAB9ANPC1ADORA2A
SCHEMBL9630312 0.91 ALDH1A1 (0.62) L3MBTL1MAPTRAB9ANPC1ADORA2A
SCHEMBL626630 0.86 ADORA2A (0.74) L3MBTL1MAPTRAB9ANPC1ADORA2A
SCHEMBL623479 0.86 L3MBTL1 (0.70) L3MBTL1MAPTRAB9ANPC1ADORA2A
SCHEMBL622624 0.85 L3MBTL1 (0.68) L3MBTL1MAPTRAB9ANPC1ADORA2A
SCHEMBL9630283 0.85 L3MBTL1 (0.57) L3MBTL1MAPTRAB9ANPC1ADORA2A
SCHEMBL9631039 0.84 L3MBTL1 (0.56) L3MBTL1MAPTRAB9ANPC1ADORA2A
SCHEMBL9629916 0.81 L3MBTL1 (0.53) L3MBTL1MAPTRAB9ANPC1ADORA2A
SCHEMBL10508272 0.80 ALDH1A1 (0.79) L3MBTL1MAPTRAB9ANPC1ALDH1A1
SCHEMBL2554376 0.80 L3MBTL1 (0.74) L3MBTL1MAPTRAB9ANPC1ADORA2A

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
EP-0269953-B1 THIOPHENE AZO DYES BASF Aktiengesellschaft (DE) 1992-03-25 EP disclosed
EP-0269953-A2 Thiophene azo dyes BASF Aktiengesellschaft (DE) 1988-06-08 EP disclosed
US-4456668-A DYE BLEACH, TEXTILE DYES CIBA GEIGY AG (CH) 1984-06-26 US disclosed
US-4409143-A TEXTILES, PHOTOGRAPHY CIBA-GEIGY AG (CH) 1983-10-11 US disclosed