SCHEMBL14722845

SCHEMBL14722845

COC(C)n1ncc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.39
ELANE P08246 1/20 0.37
CHRM2 P08172 5/20 0.36
CHRM1 P11229 5/20 0.36
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MEN1 O00255 2/20 0.35
RAB9A P51151 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
KMO O15229 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL878425 0.81 RECQL (0.43) RECQLELANECYP1A2ADRA2AADRA2B
SCHEMBL29350890 0.81 RECQL (0.43) RECQLELANECYP1A2ADRA2AADRA2B
SCHEMBL28505046 0.80 ELANE (0.37) RECQLELANECHRM2CHRM1CYP1A2
SCHEMBL21276545 0.78 RECQL (0.41) RECQLELANECHRM2CHRM1CYP1A2
SCHEMBL20622947 0.78 RECQL (0.41) RECQLELANECHRM2CHRM1CYP1A2
SCHEMBL29311539 0.78 RECQL (0.41) RECQLELANECHRM2CHRM1CYP1A2
SCHEMBL14909632 0.77 HTR2A (0.40) CHRM2ADRA2AADRA2BADRA2CMEN1
SCHEMBL14910172 0.77 HDAC8 (0.44) KMOHTR2AHTR2CHTR2BSLC6A2
SCHEMBL8725006 0.76 KMO (0.43) RECQLELANEMEN1RAB9AKMT2A
SCHEMBL30730294 0.76 NPC1 (0.42) ELANEMEN1RAB9AKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9390864-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2016-07-12 US disclosed
US-20150340165-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-9159499-B2 Additives for dye-sensitized solar cells MERCK PATENT GMBH (DE) 2015-10-13 US disclosed
EP-2820105-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS Merck Patent GmbH (DE) 2015-01-07 EP disclosed
US-20140190567-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2014-07-10 US disclosed
WO-2013026563-A1 ADDITIVES FOR DYE-SENSITIZED SOLAR CELLS MERCK PATENT GMBH (DE) 2013-02-28 WO disclosed