SCHEMBL6599330

SCHEMBL6599330

CCOc1ccc(NC=C2C(=O)Nc3ccc(Cl)cc32)cc1.O=C1Nc2ccc(Cl)cc2C1=CNc1ccc(O)c(C(=O)O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.47
TDO2 P48775 2/20 0.47
PSEN1 P49768 5/20 0.46
PSEN2 P49810 5/20 0.46
APH1B Q8WW43 5/20 0.46
NCSTN Q92542 5/20 0.46
APH1A Q96BI3 5/20 0.46
PSENEN Q9NZ42 5/20 0.46
TGM2 P21980 1/20 0.46
FLT3 P36888 1/20 0.44
CDYL2 Q8N8U2 1/20 0.44
CDYL Q9Y232 1/20 0.44
CDY1; CDY1B Q9Y6F8 1/20 0.44
LRRK2 Q5S007 4/20 0.44
MDM2 Q00987 2/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL4989007 0.89 IDO1 (0.54) IDO1TDO2PSEN1PSEN2APH1B
SCHEMBL4989006 0.89 IDO1 (0.54) IDO1TDO2PSEN1PSEN2APH1B
SCHEMBL4997005 0.88 PSEN1 (0.55) IDO1TDO2PSEN1PSEN2APH1B
SCHEMBL4997002 0.88 PSEN1 (0.55) IDO1TDO2PSEN1PSEN2APH1B
SCHEMBL5024104 0.76 MAP3K7 (0.52) IDO1TGM2FLT3ALDH1A1TDP1
SCHEMBL4991562 0.76 LRRK2 (0.57) IDO1TDO2PSEN1PSEN2APH1B
SCHEMBL5024106 0.76 MAP3K7 (0.52) IDO1TGM2FLT3ALDH1A1TDP1
SCHEMBL4991570 0.76 LRRK2 (0.57) IDO1TDO2PSEN1PSEN2APH1B
SCHEMBL4990478 0.76 MDM2 (0.61) IDO1TDO2PSEN1PSEN2APH1B
SCHEMBL4990472 0.76 MDM2 (0.61) IDO1TDO2PSEN1PSEN2APH1B

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-1430048-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS Allergan, Inc. (US) 2004-06-23 EP disclosed
WO-2003027102-A1 3-(ARYLAMINO)METHYLENE-1, 3-DIHYDRO-2H-INDOL-2-ONES AS KINASE INHIBITORS ALLERGAN, INC. (US) 2003-04-03 WO disclosed