SCHEMBL28308570

SCHEMBL28308570

Cc1c([N+](=O)[O-])ccc(C(N)=O)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.53
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CASP6 P55212 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
DTYMK P23919 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
MITF O75030 1/20 0.40
HTT P42858 1/20 0.40
CCR6 P51684 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 2/20 0.38
CYP3A4 P08684 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 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
SCHEMBL787115 0.88 TSHR (0.62) TSHRTDP1L3MBTL1CASP6ALDH1A1
SCHEMBL7093885 0.88 TSHR (0.62) TSHRTDP1L3MBTL1CASP6ALDH1A1
SCHEMBL10648997 0.83 TDP1 (0.47) TSHRTDP1L3MBTL1CASP6ALDH1A1
SCHEMBL1117860 0.83 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL30616318 0.80 TSHR (0.47) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL7447014 0.80 TDP1 (0.51) TSHRTDP1L3MBTL1CASP6ALDH1A1
SCHEMBL1585078 0.80 TDP1 (0.64) TSHRTDP1L3MBTL1CASP6ALDH1A1
SCHEMBL7566346 0.79 KMT2A (0.49) TSHRTDP1L3MBTL1ALDH1A1LMNA
SCHEMBL8364702 0.78 TSHR (0.53) TSHRTDP1L3MBTL1CASP6ALDH1A1
SCHEMBL27448270 0.78 TSHR (0.62) TSHRTDP1L3MBTL1CASP6ALDH1A1

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-110054894-A Bio-based polyimide film and preparation method and application thereof 东华大学 2019-07-26 CN claimed
CN-110054894-A Bio-based polyimide film and preparation method and application thereof 东华大学 2019-07-26 CN disclosed