SCHEMBL9631039

SCHEMBL9631039

CCOC(=O)c1c(Br)sc(N)c1C#N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.56
MAPT P10636 11/20 0.54
ALDH1A1 P00352 10/20 0.54
GAA P10253 8/20 0.54
HPGD P15428 6/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FHIT P49789 1/20 0.50
KMT2A Q03164 7/20 0.48
MEN1 O00255 6/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 5/20 0.46
KDM4E B2RXH2 4/20 0.46
RECQL P46063 2/20 0.46
ADORA2A P29274 1/20 0.46
ALOX15 P16050 4/20 0.46
MAPK1 P28482 3/20 0.46
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44

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
SCHEMBL9630241 0.84 L3MBTL1 (0.68) L3MBTL1MAPTALDH1A1GAAHPGD
SCHEMBL9630283 0.84 L3MBTL1 (0.57) L3MBTL1MAPTALDH1A1GAAHPGD
SCHEMBL28809763 0.81 L3MBTL1 (0.61) L3MBTL1MAPTALDH1A1GAAHPGD
SCHEMBL9630312 0.81 ALDH1A1 (0.62) L3MBTL1MAPTALDH1A1GAAHPGD
SCHEMBL28892316 0.81 MAPT (0.76) L3MBTL1MAPTALDH1A1GAAHPGD
SCHEMBL9629916 0.80 L3MBTL1 (0.53) L3MBTL1MAPTALDH1A1GAAHPGD
SCHEMBL3921254 0.76 ALDH1A1 (0.68) L3MBTL1MAPTALDH1A1GAAHPGD
SCHEMBL623479 0.76 L3MBTL1 (0.70) L3MBTL1MAPTALDH1A1GAAHPGD
SCHEMBL626630 0.76 ADORA2A (0.74) L3MBTL1MAPTALDH1A1GAAHPGD
SCHEMBL17520172 0.75 GRM6 (0.54) L3MBTL1MAPTALDH1A1GAAHPGD

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
WO-2016021562-A1 CYANOTHIOPHENE DERIVATIVE キッセイ薬品工業株式会社 2016-02-11 WO disclosed
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