SCHEMBL6525674

SCHEMBL6525674

CCN(C#CC(N)=O)CC.O=C1Cc2cc(Br)ccc2N1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.45
CMA1 P23946 1/20 0.45
BRD4 O60885 1/20 0.41
EPHX2 P34913 1/20 0.40
TDP2 O95551 1/20 0.40
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
SMYD3 Q9H7B4 11/20 0.38
IDO1 P14902 1/20 0.38
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL6431 0.76 AHR (0.72) AHRCMA1BRD4EPHX2TDP2
SCHEMBL6523246 0.74 AHR (0.47) AHRCMA1BRD4TDP2GRIA1
Formic Acid SCHEMBL29737119 0.72 AHR (0.62) AHRCMA1BRD4EPHX2TDP2
SCHEMBL29016213 0.68 AHR (0.48) AHRCMA1BRD4EPHX2TDP2
SCHEMBL4304359 0.67 EPHX2 (0.62) AHREPHX2SMYD3
SCHEMBL28607810 0.67 AHR (0.47) AHRCMA1BRD4EPHX2TDP2
SCHEMBL29016221 0.67 AHR (0.47) AHRCMA1BRD4EPHX2TDP2
SCHEMBL29016210 0.67 AHR (0.47) AHRCMA1BRD4EPHX2TDP2
SCHEMBL3389331 0.66 EPHX2 (0.61) AHREPHX2SMYD3
SCHEMBL7715803 0.66 PGR (0.62) AHRCMA1TDP2GRIA1CACNG8

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-1427326-A4 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN INC (US) 2005-06-08 EP disclosed
EP-1427326-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Sugen, Inc. (US) 2004-06-16 EP disclosed
WO-2003015608-A2 COMBINATION THERAPY FOR THE TREATMENT OF CANCER SUGEN, INC. (US) 2003-02-27 WO disclosed