SCHEMBL4688665

SCHEMBL4688665

COc1ccccc1C(Br)=C(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 5/20 0.46
LMNA P02545 5/20 0.46
HPGD P15428 3/20 0.44
GAA P10253 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 2/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALOX12 P18054 1/20 0.42
CCR6 P51684 1/20 0.42
KCNH2 Q12809 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
ALOX15 P16050 1/20 0.41
HTT P42858 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
SCHEMBL5896791 1.00 MAPT (0.50) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL5896804 1.00 MAPT (0.50) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL29385179 1.00 MAPT (0.50) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL4745685 0.99 MAPT (0.48) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL4745679 0.99 MAPT (0.48) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL4689049 0.91 RAB9A (0.42) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL4688828 0.91 KDM4E (0.53) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL4744975 0.90 ALDH1A1 (0.51) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL4692778 0.88 GAA (0.49) MAPTALDH1A1LMNAHPGDGAA
SCHEMBL4692776 0.88 GAA (0.49) MAPTALDH1A1LMNAHPGDGAA

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
EP-1581496-A4 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES INC (US) 2008-04-23 EP disclosed
EP-1581496-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2005-10-05 EP disclosed
WO-2004050613-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2004-06-17 WO disclosed