SCHEMBL643990

SCHEMBL643990

O=c1nc2c(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc-2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
KDM4E B2RXH2 4/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 2/20 0.34
CYP1A2 P05177 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
MAPT P10636 1/20 0.34
CDH1 P12830 1/20 0.34
APC P25054 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
PSD A5PKW4 2/20 0.33

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
SCHEMBL4607199 0.81 LMNA (0.46) ADORA2AADORA1KDM4ELMNANPC1
SCHEMBL115647 0.74 LMNA (0.47) ADORA2AADORA1KDM4ELMNAGAA
SCHEMBL38657449 0.70 RXRA (0.40) ADORA2AADORA1LMNAL3MBTL1NPC1
SCHEMBL9766862 0.69 LMNA (0.52) KDM4ELMNAGAAL3MBTL1CYP1A2
SCHEMBL7556164 0.68 KDM4E (0.60) ADORA2AADORA1KDM4ELMNAGAA
SCHEMBL9351559 0.68 KDM4E (0.60) ADORA2AADORA1KDM4ELMNAGAA
SCHEMBL10534389 0.67 MEN1 (0.50) ADORA2AADORA1KDM4ELMNAGAA
SCHEMBL10611151 0.67 NR1H4 (0.46) ADORA2AADORA1KDM4EL3MBTL1HSD17B10
SCHEMBL4680971 0.66 KDM4E (0.52) ADORA2AADORA1KDM4ELMNAGAA
SCHEMBL4841423 0.66 KDM4E (0.46) ADORA2AADORA1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012027650-A3 PALLET DESIGN WITH BUOYANT CHARACTERISTICS ORIA COLLAPSIBLES, LLC (US) 2012-05-10 WO disclosed
US-8119042-B2 Diketopyrrolopyrrole cocrystals CLARIANT FINANCE (BVI) LIMITED (VG) 2012-02-21 US disclosed
EP-2212386-B1 DIKETOPYRROLOPYRROLE COCRYSTALS CLARIANT FINANCE BVI LTD (VG) 2011-11-30 EP disclosed
EP-2205682-B1 DIKETOPYRROLOPYRROLE PIGMENT COMPOSITION FOR USE IN COLOR FILTERS CLARIANT FINANCE BVI LTD (VG) 2011-03-09 EP disclosed
US-20100213421-A1 Diketopyrrolopyrrole Cocrystals CLARIANT FINANCE (BVI) LIMITED (VG) 2010-08-26 US disclosed
EP-2212386-A1 DIKETOPYRROLOPYRROLE COCRYSTALS Clariant Finance (BVI) Limited (VG) 2010-08-04 EP disclosed
WO-2009052917-A1 DIKETOPYRROLOPYRROLE COCRYSTALS CLARIANT INTERNATIONAL LTD (CH) 2009-04-30 WO disclosed
US-6576768-B1 By reacting thiol or thiolate with halo-diketo-diarylpyrrolopyrrole; sulfiding CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-10 US disclosed
EP-1073659-B1 PREPARATION OF ALKYLTHIO- AND/OR ARYLTHIO-SUBSTITUTED DIKETO-DIARYL-PYRROLOPYRROLES CIBA SC HOLDING AG (CH) 2003-05-28 EP disclosed
EP-1073659-A1 PREPARATION OF ALKYLTHIO- AND/OR ARYLTHIO-SUBSTITUTED DIKETO-DIARYL-PYRROLOPYRROLES Ciba SC Holding AG (CH) 2001-02-07 EP disclosed
WO-1999054332-A1 PREPARATION OF ALKYLTHIO- AND/OR ARYLTHIO-SUBSTITUTED DIKETO-DIARYL-PYRROLOPYRROLES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-10-28 WO disclosed