SCHEMBL28069896

SCHEMBL28069896

Cc1ccc2cccc([N+](=O)[O-])c2c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TDP1 Q9NUW8 6/20 0.48
HSD17B10 Q99714 3/20 0.47
ALDH1A1 P00352 6/20 0.44
TYMS P04818 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 3/20 0.42
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
PDE10A Q9Y233 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
GPR35 Q9HC97 1/20 0.40
CYP3A4 P08684 3/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 2/20 0.39
CYP2C19 P33261 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
SCHEMBL10531471 0.81 TSHR (0.62) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL6493644 0.80 TSHR (0.62) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL28191082 0.80 MEN1 (0.50) TSHRSMN1; SMN2TDP1ALDH1A1TYMS
SCHEMBL227447 0.78 TSHR (0.64) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL29626558 0.78 ALDH1A1 (0.61) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL187697 0.78 ALDH1A1 (0.61) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL28069900 0.78 ALDH1A1 (0.42) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL5950672 0.77 TDP1 (0.64) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL9055141 0.77 ALDH1A1 (0.52) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1
SCHEMBL30096391 0.75 TSHR (0.44) TSHRSMN1; SMN2TDP1HSD17B10ALDH1A1

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
CN-103570620-B The luxuriant and rich with fragrance compounds of a kind of 1,12-imino group benzo [c], intermediate and preparation method and application 昆山维信诺显示技术有限公司 2016-06-15 CN claimed
CN-103570620-B The luxuriant and rich with fragrance compounds of a kind of 1,12-imino group benzo [c], intermediate and preparation method and application 昆山维信诺显示技术有限公司 2016-06-15 CN disclosed