SCHEMBL6271900

SCHEMBL6271900

Cc1cc(CNCC(=O)O)ccc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
GAA P10253 1/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.41
BLM P54132 1/20 0.41

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
SCHEMBL27640326 0.84 LMNA (0.49) TSHRRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL8790409 0.81 TSHR (0.55) TSHRRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL14777639 0.80 TSHR (0.58) TSHRRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL1829346 0.80 TSHR (0.58) TSHRRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL27575457 0.78 TSHR (0.53) TSHRRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL1828406 0.77 MAPT (0.47) TSHRRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL13267383 0.77 MAPT (0.47) TSHRRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL6780022 0.77 TSHR (0.47) TSHRMAPTALDH1A1KDM4E
SCHEMBL5905998 0.76 PDCD1 (0.47) TSHRRAB9ANPC1L3MBTL1SMN1; SMN2
SCHEMBL2597801 0.75 TSHR (0.53) TSHRRAB9ANPC1L3MBTL1SMN1; SMN2

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
EP-1606271-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES Bayer CropScience AG (DE) 2005-12-21 EP disclosed
WO-2004080984-A1 INSECTICIDAL PHTHALAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2004-09-23 WO disclosed