SCHEMBL9956674

SCHEMBL9956674

CCOc1cccc2c1NC(=O)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.51
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GRK6 P43250 1/20 0.42
PDK2 Q15119 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMYD3 Q9H7B4 2/20 0.40
IGF1R P08069 1/20 0.39
GRM5 P41594 1/20 0.39
DAO P14920 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PABPC1 P11940 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL12090742 0.86 CYP19A1 (0.48) MEN1MAPTKMT2AGRK6ALDH1A1
SCHEMBL6351188 0.82 AHR (0.43) AHRMAPTKMT2AALDH1A1KDM4E
SCHEMBL1317350 0.81 AHR (0.56) AHRMAPTKMT2APDK2ALDH1A1
SCHEMBL11094233 0.81 AHR (0.59) AHRPDK2SMYD3GRM5
SCHEMBL7211895 0.80 BRD4 (0.53) AHRMEN1MAPTKMT2APDK2
SCHEMBL10560457 0.78 ALDH1A1 (0.48) AHRSMN1; SMN2PDK2ALDH1A1SMYD3
SCHEMBL12462776 0.76 AHR (0.58) AHRMEN1MAPTKMT2APDK2
SCHEMBL11091415 0.75 AHR (0.49) AHRMAPTPDK2ALDH1A1MAPK1
SCHEMBL28870646 0.74 DRD2 (0.56) MEN1MAPTKMT2ASMN1; SMN2HSD17B10
SCHEMBL9375531 0.74 AHR (0.51) AHRPDK2SMYD3GRM5

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
EP-2655361-A2 METHOD FOR PRODUCING TRIAZINYL-SUBSTITUTED OXINDOLES Bayer Intellectual Property GmbH (DE) 2013-10-30 EP disclosed
WO-2012084855-A2 METHOD FOR PRODUCING TRIAZINYL-SUBSTITUTED OXINDOLES BAYER CROPSCIENCE AG (DE) 2012-06-28 WO disclosed
US-4110466-A FUNGICIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1978-08-29 US disclosed