SCHEMBL9976957

SCHEMBL9976957

c1ccc(-c2nc3ccccc3n2-c2ccc(-c3ccc4ccc5c(-c6ccc7ccccc7c6)ccc6ccc3c4c65)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.53
▸ ESR2 Q92731 2/20 0.53
▸ GRIA1 P42261 1/20 0.46
▸ CACNG8 Q8WXS5 1/20 0.46
▸ CACNG2 Q9Y698 1/20 0.46
▸ MAPK10 P53779 5/20 0.44
▸ PTGS2 P35354 1/20 0.42
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC8 Q9BY41 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 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
SCHEMBL19818255 0.97 ESR1 (0.48) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976950 0.93 ESR2 (0.60) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976947 0.92 ESR1 (0.49) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12912481 0.92 MAPK10 (0.47) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976944 0.92 ESR1 (0.56) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976949 0.91 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL9976946 0.91 ESR1 (0.55) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL12912523 0.89 ESR2 (0.52) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL25112974 0.89 ESR1 (0.51) ESR1ESR2GRIA1CACNG8CACNG2
SCHEMBL11954070 0.89 ESR1 (0.45) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47654-E1 Organic electroluminescence device IDEMITSU KOASN CO., LTD. (JP) 2019-10-22 — — US disclosed
EP-2525425-B1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO (JP) 2014-10-15 — — EP disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 — — US disclosed
US-8803420-B2 Organic electroluminescence device IDEMITSU KOSAN CO., LTD. (JP) 2014-08-12 — — US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 — — US disclosed
US-20120153268-A1 ORGANIC ELECTROLUMINESCENCE DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2012-06-21 — — US disclosed
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