SCHEMBL15977495

SCHEMBL15977495

c1cnc(-c2ccc3c(-c4ccc(-c5ccc6ccccc6c5)cc4)c4ccccc4c(-c4ccc(-c5ccc6ccccc6c5)cc4)c3c2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.42
ESR2 Q92731 4/20 0.42
HTR2B P41595 1/20 0.42
HTR5A P47898 1/20 0.42
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SIRT2 Q8IXJ6 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 2/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
TSHR P16473 1/20 0.40
KLF5 Q13887 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL15977601 0.94 ESR1 (0.42) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977453 0.94 SMN1; SMN2 (0.42) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977914 0.93 ESR1 (0.43) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977913 0.93 ESR1 (0.43) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977772 0.90 CYP17A1 (0.44) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977482 0.89 CYP17A1 (0.45) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977597 0.87 SMN1; SMN2 (0.41) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977934 0.87 SMN1; SMN2 (0.46) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL14681153 0.87 CYP17A1 (0.44) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977564 0.85 CLK4 (0.40) ESR1ESR2SMN1; SMN2KDM4EMAPT

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