SCHEMBL15977908

SCHEMBL15977908

c1ccc2cc(-c3nc(-c4ccc(-c5ccc6c(-c7ccc8ccccc8c7)c7ccccc7c(-c7ccc8ccccc8c7)c6c5)cc4)nc(-c4ccc5ccccc5c4)n3)ccc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.44
ESR2 Q92731 3/20 0.44
CYP1A2 P05177 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP17A1 P05093 1/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
ALOX5 P09917 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 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
SCHEMBL19271457 0.95 MEN1 (0.46) ESR1ESR2CYP1A2SMN1; SMN2KDM4E
SCHEMBL22766721 0.95 MEN1 (0.46) ESR1ESR2CYP1A2SMN1; SMN2KDM4E
SCHEMBL12133912 0.95 MEN1 (0.46) ESR1ESR2CYP1A2SMN1; SMN2KDM4E
SCHEMBL15977630 0.95 IKBKB (0.41) ESR1ESR2CYP1A2SMN1; SMN2KDM4E
SCHEMBL22766714 0.94 CYP1A2 (0.43) ESR1ESR2CYP1A2SMN1; SMN2KDM4E
SCHEMBL15977785 0.94 MEN1 (0.45) ESR1ESR2CYP1A2SMN1; SMN2KDM4E
SCHEMBL10301149 0.94 MEN1 (0.47) ESR1ESR2CYP1A2SMN1; SMN2KDM4E
SCHEMBL22766777 0.93 CYP1A2 (0.42) ESR1ESR2CYP1A2SMN1; SMN2KDM4E
SCHEMBL23784960 0.92 MEN1 (0.44) ESR1ESR2CYP1A2SMN1; SMN2KDM4E
SCHEMBL12133905 0.92 MEN1 (0.49) ESR1ESR2CYP1A2SMN1; SMN2KDM4E

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-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-9559311-B2 Anthracene derivative, organic-electroluminescence-device material, organic electroluminescence device, and electronic equipment IDEMITSU KOSAN CO., LTD. (JP) 2017-01-31 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed
US-20140239273-A1 ANTHRACENE DERIVATIVE, ORGANIC-ELECTROLUMINESCENCE-DEVICE MATERIAL, ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC EQUIPMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-08-28 US disclosed