SCHEMBL18933883

SCHEMBL18933883

Cc1cccc([N+](=O)[O-])c1-c1ccccc1I

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.56
▸ LMNA P02545 1/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ TSHR P16473 2/20 0.53
▸ S100A4 P26447 2/20 0.51
▸ PTPRC P08575 1/20 0.51
▸ TDP1 Q9NUW8 6/20 0.48
▸ KMT2A Q03164 3/20 0.46
▸ MAPT P10636 3/20 0.46
▸ RECQL P46063 1/20 0.46
▸ MCL1 Q07820 1/20 0.46
▸ RXFP1 Q9HBX9 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MGAM O43451 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ SI P14410 1/20 0.46
▸ MGAM2 Q2M2H8 1/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL19608973 0.88 HSD17B10 (0.62) HSD17B10LMNASMN1; SMN2TSHRS100A4
SCHEMBL10711629 0.83 HSD17B10 (0.56) HSD17B10LMNASMN1; SMN2TSHRS100A4
SCHEMBL6051840 0.82 TSHR (0.69) HSD17B10LMNASMN1; SMN2TSHRS100A4
SCHEMBL18933884 0.80 S100A4 (0.51) LMNASMN1; SMN2TSHRS100A4PTPRC
SCHEMBL24625660 0.80 MYC (0.48) SMN1; SMN2TSHRTDP1L3MBTL1ALDH1A1
SCHEMBL18933881 0.80 HSD17B10 (0.51) HSD17B10LMNASMN1; SMN2TSHRS100A4
SCHEMBL2885192 0.78 MYC (0.69) HSD17B10LMNASMN1; SMN2TSHRS100A4
SCHEMBL14680508 0.78 S100A4 (0.68) HSD17B10LMNASMN1; SMN2TSHRS100A4
SCHEMBL1768471 0.78 MYC (0.42) SMN1; SMN2TSHRTDP1ALDH1A1CA1
SCHEMBL8369010 0.77 HSD17B10 (0.62) HSD17B10LMNASMN1; SMN2TSHRS100A4

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-2017095156-A1 ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-06-08 — — WO disclosed
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