SCHEMBL9900718

SCHEMBL9900718

O=C1c2ccc3ccccc3c2C(=O)c2c1ccc1ccccc21

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.70
ALDH1A1 P00352 5/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPT P10636 2/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
CES1 P23141 3/20 0.50
HIF1A Q16665 2/20 0.48
LMNA P02545 2/20 0.48
MAPK1 P28482 2/20 0.48
USP2 O75604 1/20 0.48
TP53 P04637 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
ALOX12 P18054 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 2/20 0.48

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
SCHEMBL16144677 0.93 DNMT1 (0.80) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL30362207 0.93 DNMT1 (0.67) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL7122517 0.93 DNMT1 (0.73) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL12236188 0.93 DNMT1 (0.67) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29358121 0.91 DNMT1 (0.78) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29411157 0.91 DNMT1 (0.78) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL29612224 0.91 DNMT1 (0.78) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL183078 0.91 DNMT1 (0.78) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL19230419 0.91 DNMT1 (0.83) DNMT1ALDH1A1MEN1KMT2AMAPT
SCHEMBL16144669 0.89 DNMT1 (0.68) DNMT1ALDH1A1MEN1KMT2AMAPT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2649082-B1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
EP-2649082-B1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2015-01-14 EP disclosed
EP-2649082-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS Merck Patent GmbH (DE) 2013-10-16 EP disclosed
US-20130248771-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
US-20130248771-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
US-20130248771-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2013-09-26 US disclosed
WO-2012076092-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2012-06-14 WO disclosed
WO-2012076092-A1 NON-LINEAR ACENE DERIVATIVES AND THEIR USE AS ORGANIC SEMICONDUCTORS MERCK PATENT GMBH (DE) 2012-06-14 WO disclosed