SCHEMBL6322600

SCHEMBL6322600

CN(C(=O)CNCCO)c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
TDO2 P48775 1/20 0.38
KDR P35968 2/20 0.35
MST1R Q04912 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 2/20 0.35
POLB P06746 2/20 0.34
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33
CCKAR P32238 1/20 0.33
CCKBR P32239 1/20 0.33
SENP1 Q9P0U3 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6321618 0.91 IDO1 (0.42) IDO1TDO2KDRMST1RMEN1
SCHEMBL6321612 0.91 IDO1 (0.42) IDO1TDO2KDRMST1RMEN1
SCHEMBL6321025 0.90 IDO1 (0.39) IDO1TDO2KDRMST1RMEN1
SCHEMBL6321637 0.90 IDO1 (0.39) IDO1TDO2KDRMST1RMEN1
SCHEMBL6322255 0.89 IDO1 (0.41) IDO1TDO2KDRMST1RMEN1
SCHEMBL6322249 0.89 IDO1 (0.41) IDO1TDO2KDRMST1RMEN1
SCHEMBL6320644 0.87 IDO1 (0.39) IDO1TDO2KDRMST1RMEN1
SCHEMBL6320651 0.87 IDO1 (0.39) IDO1TDO2KDRMST1RMEN1
SCHEMBL6327047 0.85 IDO1 (0.41) IDO1TDO2KDRMST1RMEN1
SCHEMBL6326191 0.85 IDO1 (0.41) IDO1TDO2KDRMST1RMEN1

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
US-20050085617-A1 Polyurea/urethane optical material and method for making it YOUNGER MFG. CO. DBA YOUNGER OPTICS 2005-04-21 US disclosed
EP-1115704-B1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-06-18 EP disclosed
EP-1115704-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES Boehringer Ingelheim Pharma KG (DE) 2001-07-18 EP disclosed
WO-2000018734-A1 NOVEL SUBSTITUTED INDOLINONES WITH AN INHIBITORY EFFECT ON VARIOUS KINASES AND CYCLIN/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-04-06 WO disclosed