SCHEMBL12436893

SCHEMBL12436893

c1ccc(-c2ccc(-c3c4ccccc4c(-c4ccc(-c5cccs5)cn4)c4ccccc34)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.46
FYN P06241 2/20 0.45
KDM4E B2RXH2 5/20 0.44
MAPT P10636 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2E1 P05181 1/20 0.44
CYP2A6 P11509 1/20 0.44
CYP2B6 P20813 1/20 0.44
MAOB P27338 1/20 0.42
HPGDS O60760 2/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GAA P10253 2/20 0.40
CASP1 P29466 1/20 0.40
MAPK10 P53779 1/20 0.40
CASP7 P55210 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
SCHEMBL10160337 0.84 KDM4E (0.55) CDK8FYNKDM4EMAPTCYP3A4
SCHEMBL12436032 0.83 ALDH1A1 (0.43) CDK8KDM4EMAPTCYP3A4CYP2C9
SCHEMBL12436892 0.80 ALDH1A1 (0.40) CDK8FYNKDM4EMAPTCYP3A4
SCHEMBL12345151 0.80 NPC1 (0.46) HPGDSALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL13917342 0.80 CYP2C9 (0.53) FYNKDM4EMAPTCYP3A4CYP2C9
SCHEMBL12435999 0.79 HPGDS (0.49) HPGDSNPC1RAB9ASMN1; SMN2CYP11B1
SCHEMBL22899959 0.78 ACHE (0.53) CDK8KDM4EMAPTCYP3A4CYP2C9
SCHEMBL10408880 0.78 KDM4E (0.52) FYNKDM4EMAPTCYP3A4CYP2C9
SCHEMBL18419721 0.78 FYN (0.52) CDK8FYNKDM4EMAPTCYP3A4
SCHEMBL4316594 0.77 LTA4H (0.47) KDM4EMAPTCYP3A4CYP2C9CYP2E1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011037380-A9 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-08-04 WO disclosed
WO-2011037380-A2 NOVEL ANTHRACENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME 주식회사 두산 (KR) 2011-03-31 WO disclosed