SCHEMBL15003462

SCHEMBL15003462

O=[N+]([O-])c1ccccc1Sc1c(F)ccc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
PDE7A Q13946 6/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPRT1 P00492 1/20 0.44
HTT P42858 2/20 0.43
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GAA P10253 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 2/20 0.39
PDE7B Q9NP56 2/20 0.38

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
SCHEMBL22133428 0.79 ALDH1A1 (0.65) ALDH1A1PDE7ASMN1; SMN2HPRT1HTT
SCHEMBL1342485 0.75 PDE7A (0.64) ALDH1A1PDE7ASMN1; SMN2LMNAMAPT
SCHEMBL15003445 0.74 ALDH1A1 (0.42) ALDH1A1PDE7ASMN1; SMN2HPRT1LMNA
SCHEMBL16218708 0.74 HPRT1 (0.37) ALDH1A1HPRT1TDP1TSHR
SCHEMBL15003434 0.74 ALDH1A1 (0.42) ALDH1A1HPRT1HTTLMNAMAPT
SCHEMBL31272173 0.74 PDE7A (0.78) ALDH1A1PDE7ASMN1; SMN2LMNAMAPT
SCHEMBL875772 0.74 PDE7A (0.78) ALDH1A1PDE7ASMN1; SMN2LMNAMAPT
SCHEMBL2360372 0.72 PDE7A (0.59) ALDH1A1PDE7ASMN1; SMN2HTTLMNA
SCHEMBL19180218 0.71 PDE7A (0.54) ALDH1A1PDE7ASMN1; SMN2HPRT1HTT
SCHEMBL7936527 0.70 TSHR (0.62) ALDH1A1HPRT1HTTMAPTTDP1

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-9905773-B2 Compound for organic electronic element, organic electronic element using the same and electronic device thereof DUK SAN NEOLUX CO., LTD. (KR) 2018-02-27 US disclosed
US-20140326987-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-06 US disclosed
US-20140326987-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME AND ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2014-11-06 US disclosed
WO-2013081315-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE, ORGANIC ELECTRONIC DEVICE COMPRISING SAME AND ELECTRONIC DEVICE COMPRISING THE ORGANIC ELECTRONIC DEVICE 덕산하이메탈(주) (KR) 2013-06-06 WO disclosed