SCHEMBL15977601

SCHEMBL15977601

c1cnc(-c2ccc(-c3ccc4c(-c5ccc6ccccc6c5)c5ccccc5c(-c5ccc6ccccc6c5)c4c3)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 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 2/20 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
SCHEMBL15977495 0.94 ESR1 (0.42) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977453 0.94 SMN1; SMN2 (0.42) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977700 0.90 CYP1A2 (0.41) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977597 0.90 SMN1; SMN2 (0.41) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977913 0.90 ESR1 (0.43) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL14681153 0.90 CYP17A1 (0.44) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977914 0.90 ESR1 (0.43) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977482 0.89 CYP17A1 (0.45) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977787 0.88 KDM4E (0.41) ESR1ESR2HTR2BHTR5ACYP17A1
SCHEMBL15977408 0.88 SMN1; SMN2 (0.42) ESR1ESR2HTR2BHTR5ACYP17A1

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