SCHEMBL12699712

SCHEMBL12699712

CC1(C)c2ccccc2-c2cc3c4ccc(-c5cccc6ccccc56)cc4n(-c4ccc(-c5ccc(-n6c7cc(-c8cccc9ccccc89)ccc7c7cc8c(cc76)C(C)(C)c6ccccc6-8)cc5)cc4)c3cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 1/20 0.33
▸ ACMSD Q8TDX5 1/20 0.33
▸ CA12 O43570 3/20 0.32
▸ CA1 P00915 3/20 0.32
▸ CA2 P00918 3/20 0.32
▸ CA9 Q16790 3/20 0.32
▸ NTSR1 P30989 1/20 0.32
▸ CHRNA1 P02708 1/20 0.31
▸ CHRNG P07510 1/20 0.31
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ CHRNA3 P32297 1/20 0.31
▸ CHRNA4 P43681 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31
▸ CHRND Q07001 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL26813257 0.89 NTSR1 (0.34) MCL1ACMSDCA12CA1CA2
SCHEMBL14960775 0.87 PDK2 (0.35) KDM4EAVPR1A
SCHEMBL15159171 0.87 PDK2 (0.35) KDM4EAVPR1A
SCHEMBL14849709 0.87 KDM4E (0.40) KDM4E
SCHEMBL783257 0.87 KDM4E (0.40) KDM4E
SCHEMBL14822535 0.87 KDM4E (0.40) KDM4E
SCHEMBL14849755 0.87 PGR (0.35) SLC6A2SLC6A4KDM4E
SCHEMBL802510 0.87 KDM4E (0.40) MCL1ACMSDNTSR1CHRNA1CHRNG
SCHEMBL14849846 0.87 MAPT (0.31) MAPTKDM4EMEN1MAPK1KMT2A
SCHEMBL17736980 0.87 CA12 (0.34) MCL1ACMSDCA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627732-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2017-12-20 — — EP disclosed
US-9653687-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-05-16 — — US disclosed
US-9653687-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2017-05-16 — — US disclosed
US-8786181-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 — — US disclosed
US-8786181-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2014-07-22 — — US disclosed
US-20130228767-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK 2013-09-05 — — US disclosed
US-20130228767-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK 2013-09-05 — — US disclosed
US-20130207095-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Fraunhofer-Gesellschaft Forderung E.V. (DE) 2013-08-15 — — US disclosed
US-20130207095-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES Fraunhofer-Gesellschaft Forderung E.V. (DE) 2013-08-15 — — US disclosed
US-20130200357-A1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-08 — — US disclosed
US-20130200357-A1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2013-08-08 — — US disclosed
WO-2012048900-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES FRAUNHOFER-GESELLSCHAFT ZUR FÖRDERUNG DER ANGEWANDTEN FORSCHUNG E.V. . (DE) 2012-04-19 — — WO disclosed
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