SCHEMBL14722271

SCHEMBL14722271

CCCCn1ccc2ccncc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.51
CDK4 P11802 4/20 0.44
CCND1 P24385 4/20 0.44
MAPT P10636 3/20 0.42
ALDH1A1 P00352 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
CYP19A1 P11511 1/20 0.41
HTR1D P28221 1/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
SLC6A2 P23975 1/20 0.40
TLR8 Q9NR97 1/20 0.39
CDC7 O00311 1/20 0.39
CDK2 P24941 1/20 0.39
GRIN2B Q13224 1/20 0.39
NR3C1 P04150 1/20 0.38

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
SCHEMBL2547264 0.90 P2RX7 (0.47) P2RX7CDK4CCND1MAPTCYP19A1
SCHEMBL9911121 0.82 CYP19A1 (0.45) P2RX7MAPTCYP19A1CDC7CDK2
SCHEMBL21245260 0.81 P2RX7 (0.52) P2RX7CDK4CCND1MAPTCYP19A1
SCHEMBL31536146 0.79 P2RX7 (0.47) P2RX7CDK4CCND1MAPTCYP19A1
SCHEMBL14723301 0.79 NFATC1 (0.52) P2RX7CDK4CCND1MAPTCYP19A1
SCHEMBL29720987 0.78 GRM2 (0.50) TSHRCNR1CNR2TLR8
SCHEMBL7831871 0.77 P2RX7 (0.52) P2RX7CDK4CCND1
SCHEMBL7822115 0.76 P2RX7 (0.51) P2RX7CDK4CCND1
SCHEMBL7834050 0.76 P2RX7 (0.51) P2RX7CDK4CCND1
SCHEMBL7836228 0.76 TNF (0.51) P2RX7CNR1

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