SCHEMBL2604850

SCHEMBL2604850

c1ccc(-c2ccc(-c3ccccc3-c3c4ccccc4c(-c4ccc(-n5c(-c6ccccc6)nc6ccccc65)cc4)c4ccccc34)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.58
ESR2 Q92731 2/20 0.58
GRIA1 P42261 1/20 0.50
CACNG8 Q8WXS5 1/20 0.50
CACNG2 Q9Y698 1/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
MAPT P10636 1/20 0.48
PTGS2 P35354 1/20 0.46
RECQL P46063 1/20 0.45
ALDH1A1 P00352 8/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 2/20 0.43
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL14363283 1.00 ESR1 (0.58) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL2604830 0.99 ESR1 (0.59) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL18999469 0.96 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL21392530 0.96 ESR1 (0.62) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13999910 0.95 ESR2 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13999995 0.94 ESR2 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26344220 0.93 ESR1 (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL13999907 0.93 ESR1 (0.50) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL26343629 0.92 RECQL (0.53) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL25769060 0.92 ESR2 (0.56) ESR1ESR2GRIA1CACNG8CACNG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120091438-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-04-19 US disclosed
US-20120091438-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-04-19 US disclosed
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed
US-20120074395-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2012-03-29 US disclosed