SCHEMBL4745679

SCHEMBL4745679

COc1ccccc1/C(Br)=C(\NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
ALDH1A1 P00352 5/20 0.46
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
HPGD P15428 3/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
ALOX12 P18054 1/20 0.43
CCR6 P51684 1/20 0.43
KCNH2 Q12809 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR1A P08908 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
SCHEMBL4745685 1.00 MAPT (0.48) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL5896804 0.99 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL4688665 0.99 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL5896791 0.99 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL29385179 0.99 MAPT (0.50) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL4688828 0.92 KDM4E (0.53) MAPTALDH1A1LMNATDP1HPGD
SCHEMBL4689049 0.92 RAB9A (0.42) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL4744975 0.91 ALDH1A1 (0.51) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL4747835 0.88 CYP1A2 (0.43) MAPTALDH1A1LMNASMN1; SMN2RAB9A
SCHEMBL4747832 0.88 CYP1A2 (0.43) MAPTALDH1A1LMNASMN1; SMN2RAB9A

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