SCHEMBL3834891

SCHEMBL3834891

O=C(O)C(Nc1ccc(-n2cc(Br)c3ccccc3c2=O)cc1)c1ccc(Cl)s1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.38
▸ ESR1 P03372 4/20 0.37
▸ ESR2 Q92731 4/20 0.37
▸ ESRRA P11474 3/20 0.37
▸ KDM4E B2RXH2 5/20 0.37
▸ LMNA P02545 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 5/20 0.33
▸ TP53 P04637 3/20 0.33
▸ F10 P00742 3/20 0.32

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
SCHEMBL1640676 0.86 F10 (0.40) GAAESR1ESR2ESRRAKDM4E
SCHEMBL3842545 0.85 LMNA (0.38) GAAESRRAKDM4ELMNAALDH1A1
SCHEMBL3834826 0.83 F10 (0.34) GAAF10
SCHEMBL3837759 0.75 TP53 (0.47) GAAKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL12727579 0.73 GAA (0.42) GAAKDM4ELMNAALDH1A1SMN1; SMN2
SCHEMBL3835105 0.72 ROCK2 (0.36) F10
SCHEMBL1639644 0.72 LMNA (0.39) GAALMNAALDH1A1MEN1KMT2A
SCHEMBL3839792 0.72 EGFR (0.34) GAAKDM4ELMNASMN1; SMN2MEN1
SCHEMBL3834640 0.72 MIF (0.33) —
SCHEMBL3836616 0.72 MEN1 (0.34) SMN1; SMN2MEN1KMT2AMAPTTP53

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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