SCHEMBL7877302

SCHEMBL7877302

Nc1scc2c1c(=O)oc1cc(N3CCOCC3)ccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC16A3 O15427 1/20 0.46
▸ LGMN Q99538 3/20 0.45
▸ PIK3CA P42336 2/20 0.40
▸ PIK3CB P42338 2/20 0.40
▸ EP300 Q09472 1/20 0.40
▸ KAT2B Q92831 1/20 0.40
▸ PIK3CD O00329 1/20 0.40
▸ MAPT P10636 4/20 0.39
▸ TBK1 Q9UHD2 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PRKDC P78527 3/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ALK Q9UM73 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
SCHEMBL7885079 0.75 CDC25A (0.50) MAPTNPC1RAB9AGAAMEN1
SCHEMBL1938064 0.74 SLC16A3 (0.51) SLC16A3LGMNPIK3CAPIK3CBEP300
SCHEMBL7877169 0.72 KDM4E (0.58) MAPTSMN1; SMN2NPC1RAB9AGAA
SCHEMBL26770701 0.71 PDE2A (0.61) SLC16A3PIK3CAPIK3CBPIK3CDMAPT
SCHEMBL26767064 0.71 PRKDC (0.59) SLC16A3PIK3CAPIK3CBPIK3CDMAPT
SCHEMBL29888461 0.70 TSHR (0.56) SLC16A3LGMNMAPTSMN1; SMN2NPC1
SCHEMBL2400184 0.70 PRKDC (0.51) SLC16A3LGMNPIK3CAPIK3CBPIK3CD
SCHEMBL24270394 0.69 KDM4E (0.60) MAPTSMN1; SMN2TP53GAAPRKDC
SCHEMBL14424597 0.68 SLC16A3 (0.58) SLC16A3MAPTTBK1SMN1; SMN2NPC1
SCHEMBL13432103 0.68 SLC16A3 (0.52) SLC16A3MAPTSMN1; SMN2NPC1RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6169087-B1 Modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2001-01-02 — — US disclosed
EP-1017697-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 2000-07-12 — — EP disclosed
WO-1999015529-A1 MODULES OF PROTEIN TYROSINE PHOSPHATASES (PTPases) NOVO NORDISK A/S (DK) 1999-04-01 — — WO disclosed
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