SCHEMBL13045522

SCHEMBL13045522

O=C1c2ccccc2-c2ccc(-c3ccc4c5c(cccc35)C(=O)c3ccccc3-4)c3cccc1c23

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 4/20 0.72
MAPT P10636 4/20 0.72
SMN1; SMN2 Q16637 3/20 0.72
KDM4E B2RXH2 3/20 0.72
CYP3A4 P08684 4/20 0.63
CASP1 P29466 3/20 0.63
DNMT1 P26358 2/20 0.63
CASP7 P55210 2/20 0.63
CYP1A2 P05177 4/20 0.58
ALDH1A1 P00352 5/20 0.54
CYP2C9 P11712 2/20 0.54
HBB P68871 1/20 0.54
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CDC25B P30305 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
KEAP1 Q14145 1/20 0.52
NFE2L2 Q16236 1/20 0.52
MAPK1 P28482 5/20 0.50

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
SCHEMBL29456701 1.00 PABPC1 (0.72) PABPC1MAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL24334669 0.88 MAPT (0.64) PABPC1MAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL20835013 0.86 MAPT (0.66) PABPC1MAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL1983882 0.84 PABPC1 (0.64) PABPC1MAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL18288098 0.84 SMN1; SMN2 (1.00) PABPC1MAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL29698127 0.84 PABPC1 (0.64) PABPC1MAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL13006706 0.84 SMN1; SMN2 (1.00) PABPC1MAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL16582580 0.84 KEAP1 (0.78) PABPC1MAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL17322323 0.84 PABPC1 (0.64) PABPC1MAPTSMN1; SMN2KDM4ECYP3A4
SCHEMBL29907914 0.84 PABPC1 (0.64) PABPC1MAPTSMN1; SMN2KDM4ECYP3A4

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-7838126-B2 Organic electronic devices MERCK PATENT GMBH (DE) 2010-11-23 US disclosed
US-7838126-B2 Organic electronic devices MERCK PATENT GMBH (DE) 2010-11-23 US disclosed
US-20070164273-A1 Organic electronic devices MERCK PATENT GMBH (DE) 2007-07-19 US disclosed
US-20070164273-A1 Organic electronic devices MERCK PATENT GMBH (DE) 2007-07-19 US disclosed