SCHEMBL15977671

SCHEMBL15977671

c1ccc(-c2cc(-c3ccc(-c4ccc5c(-c6ccc7ccccc7c6)c6ccccc6c(-c6ccc7ccccc7c6)c5c4)cc3)ccn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
HTR2B P41595 1/20 0.41
HTR5A P47898 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
MAPKAPK2 P49137 1/20 0.40
ASIC3 Q9UHC3 1/20 0.40
SMO Q99835 2/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PIK3CA P42336 1/20 0.39
ESR1 P03372 4/20 0.38
ESR2 Q92731 4/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
GSK3B P49841 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL15977494 1.00 CYP1A1 (0.42) CYP1A1CYP1B1HTR2BHTR5ACYP17A1
SCHEMBL15977625 0.99 CYP1A1 (0.43) CYP1A1CYP1B1HTR2BHTR5ACYP17A1
SCHEMBL15977568 0.97 CYP1A1 (0.42) CYP1A1CYP1B1HTR2BHTR5ACYP17A1
SCHEMBL18431875 0.92 SMN1; SMN2 (0.44) CYP1A1CYP1B1HTR2BHTR5ACYP17A1
SCHEMBL14849204 0.92 ASIC3 (0.46) MAPKAPK2ASIC3SMOPLGPLAU
SCHEMBL18431627 0.90 CYP11B1 (0.42) CYP1A1CYP1B1HTR2BHTR5ACYP17A1
SCHEMBL15977450 0.89 PIM1 (0.40) HTR2BHTR5ACYP17A1CYP19A1CYP11B1
SCHEMBL10300923 0.89 ASIC3 (0.46) MAPKAPK2ASIC3SMOPLGPLAU
SCHEMBL15977471 0.89 ASIC3 (0.46) MAPKAPK2ASIC3SMOPLGPLAU
SCHEMBL15977843 0.88 KDM4E (0.43) CYP1A1CYP1B1HTR2BHTR5ACYP17A1

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