SCHEMBL17146451

SCHEMBL17146451

C/C=C\NC(=O)c1cccc(-c2ncco2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.44
GLRB P48167 1/20 0.44
IL2 P60568 1/20 0.43
HPGDS O60760 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
TYK2 P29597 1/20 0.37
KAT6A Q92794 3/20 0.37
BRD4 O60885 1/20 0.37
NTRK1 P04629 1/20 0.37
TRPM4 Q8TD43 1/20 0.36
HDAC4 P56524 1/20 0.36

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
SCHEMBL24934252 0.83 CDK8 (0.49) GLRA3GLRBIL2HPGDSALDH1A1
SCHEMBL30999881 0.80 ALDH1A1 (0.47) GLRA3GLRBIL2HPGDSALDH1A1
SCHEMBL24933996 0.80 ALDH1A1 (0.47) GLRA3GLRBIL2HPGDSALDH1A1
SCHEMBL9507238 0.78 BRD4 (0.48) GLRA3GLRBHPGDSMAPK1BRD4
SCHEMBL31216543 0.78 KAT6A (0.44) GLRA3GLRBHPGDSALDH1A1HPGD
SCHEMBL6434655 0.78 GLRA3 (0.62) GLRA3GLRBHPGDSNPC1RAB9A
SCHEMBL939928 0.77 KEAP1 (0.55) GLRA3GLRBHPGDSALDH1A1NPC1
SCHEMBL31558442 0.77 KEAP1 (0.55) GLRA3GLRBHPGDSALDH1A1NPC1
SCHEMBL6433748 0.76 HPGDS (0.47) GLRA3GLRBIL2HPGDSALDH1A1
SCHEMBL6573037 0.76 PRKCI (0.50) GLRA3GLRBHPGDSNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2046916-B1 OXAZOLE TRIPLET EMITTERS FOR OLED APPLICATIONS MERCK PATENT GMBH (DE) 2015-10-07 EP disclosed