SCHEMBL18201405

SCHEMBL18201405

OB(O)c1cc2ccccc2c2c1sc1c3ccccc3ccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 7/20 0.40
CYP1A1 P04798 6/20 0.40
HPGD P15428 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 2/20 0.39
RAB9A P51151 2/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
NQO2 P16083 2/20 0.37
NQO1 P15559 1/20 0.37
CYP1A2 P05177 5/20 0.37
HPRT1 P00492 1/20 0.35
ERBB2 P04626 1/20 0.35

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
SCHEMBL9950434 0.83 MAPT (0.42) HPGDRAB9AATML3MBTL1MAPT
SCHEMBL29628999 0.81 HSD17B10 (0.47) CYP1B1CYP1A1HPGDHIF1AHSD17B10
SCHEMBL28759609 0.81 HSD17B10 (0.47) CYP1B1CYP1A1HPGDHIF1AHSD17B10
SCHEMBL19961743 0.79 NQO2 (0.41) HPGDHIF1AHSD17B10RAB9ACYP3A4
SCHEMBL30605787 0.79 CYP1A1 (0.43) CYP1B1CYP1A1HPGDHIF1AHSD17B10
SCHEMBL18810717 0.79 HSD17B10 (0.46) CYP1B1CYP1A1HPGDHIF1AHSD17B10
SCHEMBL17162872 0.79 CYP1A1 (0.43) CYP1B1CYP1A1HPGDHIF1AHSD17B10
SCHEMBL31286359 0.78 CYP1A2 (0.48) CYP1B1CYP1A1HPGDHIF1AHSD17B10
SCHEMBL22155490 0.78 CYP1A2 (0.48) CYP1B1CYP1A1HPGDHIF1AHSD17B10
SCHEMBL25368551 0.76 CYP1B1 (0.41) CYP1B1CYP1A1HPGDHIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016175533-A2 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME 덕산네오룩스 주식회사 2016-11-03 WO disclosed