SCHEMBL12414459

SCHEMBL12414459

c1ccc2c(c1)CCc1ccccc1N2c1ccc(-c2cc(-c3ccc(N4c5ccccc5CCc5ccccc54)cc3)cc(-c3ccc4ccccc4c3)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.40
LMNA P02545 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B3 P37058 1/20 0.38
ALOX5 P09917 1/20 0.38
HTR3A P46098 2/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HSD17B1 P14061 1/20 0.37

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
SCHEMBL12414465 0.89 HPGD (0.42) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL13623251 0.87 HSP90AA1 (0.45) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL12414461 0.85 HSD17B3 (0.46) MEN1KMT2AALDH1A1HPGDHSD17B3
SCHEMBL14595498 0.85 HSD17B3 (0.46) MEN1KMT2AALDH1A1HPGDHSD17B3
SCHEMBL13428117 0.84 ALDH1A1 (0.38) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL12175900 0.84 ALDH1A1 (0.38) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL2208353 0.83 HPGD (0.46) MEN1KMT2AALDH1A1RAB9AHPGD
SCHEMBL13428157 0.83 ALDH1A1 (0.37) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL13428153 0.82 CYP1A2 (0.36) ESR1ESR2MEN1KMT2AALDH1A1
SCHEMBL13009038 0.82 CYP1A2 (0.36) ESR1ESR2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170098785-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2017-04-06 US disclosed
US-20170098785-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2017-04-06 US disclosed
US-9564607-B2 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2017-02-07 US disclosed
US-9564607-B2 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2017-02-07 US disclosed
US-20140239282-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239282-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-8753757-B2 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2014-06-17 US disclosed
US-8753757-B2 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2014-06-17 US disclosed
US-20110163660-A1 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2011-07-07 US disclosed
US-20110163660-A1 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2011-07-07 US disclosed
EP-1205527-B1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO (JP) 2008-04-30 EP disclosed
US-20070248841-A1 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2007-10-25 US disclosed
US-20070248841-A1 Organic electroluminescence element IDEMITSU KOSAN CO., LTD. (JP) 2007-10-25 US disclosed
US-7226546-B2 Organic host material for an organic luminescence layer of a carbazole derivative with a glass-transition temperature of 110 degrees C., and a phosphorescent dopant; heat-resistance IDEMITSU KOSAN CO., LTD. (JP) 2007-06-05 US disclosed
US-7226546-B2 Organic host material for an organic luminescence layer of a carbazole derivative with a glass-transition temperature of 110 degrees C., and a phosphorescent dopant; heat-resistance IDEMITSU KOSAN CO., LTD. (JP) 2007-06-05 US disclosed