SCHEMBL1116337

SCHEMBL1116337

C=CCc1cccc2cc3cc4cc5ccccc5cc4cc3cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
AKR1B1 P15121 1/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 5/20 0.37
KDM4E B2RXH2 4/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
MAP4K4 O95819 1/20 0.37
RET P07949 1/20 0.37
IGF1R P08069 1/20 0.37
MET P08581 1/20 0.37
PIM1 P11309 1/20 0.37
LTK P29376 1/20 0.37
KDR P35968 1/20 0.37
MAPK8 P45983 1/20 0.37
MAPK9 P45984 1/20 0.37
CDK8 P49336 1/20 0.37
CLK2 P49760 1/20 0.37
CDK9 P50750 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
SCHEMBL6524646 1.00 GABRA1 (0.43) GABRA1GABRB2AKR1B1GAAALDH1A1
SCHEMBL30083979 0.98 GABRA1 (0.44) GABRA1GABRB2AKR1B1GAAALDH1A1
Anthracene SCHEMBL28476048 0.98 GABRA1 (0.44) GABRA1GABRB2AKR1B1GAAALDH1A1
SCHEMBL729990 0.98 GABRA1 (0.44) GABRA1GABRB2AKR1B1GAAALDH1A1
Phenanthrene SCHEMBL28328083 0.91 ALDH1A1 (0.48) GABRA1GABRB2ALDH1A1AURKADAPK3
SCHEMBL29106731 0.84 GABRA1 (0.47) GABRA1GABRB2AKR1B1GAAALDH1A1
SCHEMBL28280549 0.83 TLR8 (0.40) MTNR1AMTNR1BMAPT
SCHEMBL7050592 0.82 GABRA1 (0.41) GABRA1GABRB2AKR1B1ALDH1A1KDM4E
SCHEMBL29058800 0.81 ALDH1A1 (0.41) GAAALDH1A1KDM4EMTNR1AHSD17B10
SCHEMBL6402798 0.81 ALDH1A1 (0.35) GABRA1GABRB2GAAALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104769735-B Benzothiophene and benzothiophene derivative, organic semiconducting materials and organic transistor DIC株式会社 2017-07-28 CN disclosed
US-9475703-B2 Graphene base and method of preparing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-10-25 US disclosed
EP-2281779-B1 Graphene base and method of preparing the same SAMSUNG ELECTRONICS CO LTD (KR) 2016-06-29 EP disclosed
US-9315387-B2 Graphene base and method of preparing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-04-19 US disclosed
US-20140263166-A1 GRAPHENE BASE AND METHOD OF PREPARING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2014-09-18 US disclosed
US-20110033677-A1 GRAPHENE BASE AND METHOD OF PREPARING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-02-10 US disclosed
EP-2281779-A2 Graphene base and method of preparing the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2011-02-09 EP disclosed