SCHEMBL3842545

SCHEMBL3842545

N#Cc1cn(-c2ccc(NC(C(=O)O)c3ccc(Cl)s3)cc2)c(=O)c2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.38
▸ TP53 P04637 1/20 0.38
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 4/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ ESRRA P11474 1/20 0.34
▸ STAT3 P40763 1/20 0.33

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
SCHEMBL1639644 0.87 LMNA (0.39) LMNATP53GAAALDH1A1MEN1
SCHEMBL3834891 0.85 GAA (0.38) LMNATP53GAAKDM4EALDH1A1
SCHEMBL3834826 0.81 F10 (0.34) GAA
SCHEMBL3834640 0.77 MIF (0.33) —
SCHEMBL3837759 0.73 TP53 (0.47) LMNATP53GAAKDM4EALDH1A1
SCHEMBL1640676 0.72 F10 (0.40) LMNATP53GAAKDM4EALDH1A1
SCHEMBL12727579 0.71 GAA (0.42) LMNATP53GAAKDM4EALDH1A1
SCHEMBL3835105 0.70 ROCK2 (0.36) —
SCHEMBL3839792 0.70 EGFR (0.34) LMNATP53GAAKDM4EMEN1
SCHEMBL3836616 0.70 MEN1 (0.34) TP53MEN1KMT2ASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP claimed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO claimed
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 — — EP disclosed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 — — WO disclosed
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