SCHEMBL15870792

SCHEMBL15870792

Cc1ccccc1-c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 3/20 0.42
TSHR P16473 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ESR2 Q92731 1/20 0.41
MCL1 Q07820 1/20 0.41
HTR7 P34969 2/20 0.40
CTSD P07339 1/20 0.40
BACE1 P56817 1/20 0.40
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
KDM4E B2RXH2 2/20 0.39

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
SCHEMBL22211041 0.98 ENPP3 (0.45) ENPP3ENPP1CA12CA1CA2
SCHEMBL15681412 0.94 CA12 (0.47) ENPP3ENPP1CA12CA1CA2
SCHEMBL22079953 0.92 ENPP3 (0.41) ENPP3ENPP1CA12CA1CA2
SCHEMBL22079979 0.92 ENPP3 (0.41) ENPP3ENPP1CA12CA1CA2
SCHEMBL21250647 0.91 ESR2 (0.47) ENPP3ENPP1CA12CA1CA2
SCHEMBL15678667 0.91 ALDH1A1 (0.50) ENPP3ENPP1CA12CA1CA2
SCHEMBL21944199 0.89 HTR7 (0.46) ENPP3ENPP1ALDH1A1TSHRNPC1
SCHEMBL11966925 0.89 CA12 (0.43) ENPP3ENPP1CA12CA1CA2
SCHEMBL15681405 0.88 CA12 (0.46) ENPP3ENPP1CA12CA1CA2
SCHEMBL3294993 0.87 CA12 (0.55) ENPP3ENPP1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230402-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-04-15 EP disclosed
US-10454040-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-10-22 US disclosed
EP-2941473-B1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2018-01-31 EP disclosed
US-9871201-B2 Electronic devices MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-9871201-B2 Electronic devices MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
EP-2898042-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-07-06 EP disclosed
US-20160035992-A1 ORGANIC LIGHT-EMITTING DEVICE HAVING DELAYED FLUORESCENCE MERCK PATENT GMBH (DE) 2016-02-04 US disclosed
US-20150340619-A1 Electronic Device MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340619-A1 Electronic Device MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340636-A1 Electronic Device MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150340636-A1 Electronic Device MERCK PATENT GMBH (DE) 2015-11-26 US disclosed
US-20150236261-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-08-20 US disclosed
US-20150236261-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-08-20 US disclosed
US-20150115239-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-30 US disclosed
US-20150115239-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-04-30 US disclosed
WO-2014106521-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2014-07-10 WO disclosed
WO-2014106523-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2014-07-10 WO disclosed