SCHEMBL4689049

SCHEMBL4689049

COc1ccccc1C(Br)=C(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N1CCSCC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 6/20 0.42
LMNA P02545 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HTR1A P08908 1/20 0.40
EPHX1 P07099 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL4745679 0.92 MAPT (0.48) RAB9ASMN1; SMN2MAPTLMNATDP1
SCHEMBL4745685 0.92 MAPT (0.48) RAB9ASMN1; SMN2MAPTLMNATDP1
SCHEMBL5896791 0.91 MAPT (0.50) RAB9ASMN1; SMN2MAPTLMNATDP1
SCHEMBL29385179 0.91 MAPT (0.50) RAB9ASMN1; SMN2MAPTLMNATDP1
SCHEMBL5896804 0.91 MAPT (0.50) RAB9ASMN1; SMN2MAPTLMNATDP1
SCHEMBL4688665 0.91 MAPT (0.50) RAB9ASMN1; SMN2MAPTLMNATDP1
SCHEMBL4688828 0.89 KDM4E (0.53) MAPTLMNATDP1ALDH1A1KMT2A
SCHEMBL4744975 0.88 ALDH1A1 (0.51) RAB9ASMN1; SMN2MAPTLMNATDP1
SCHEMBL4747835 0.85 CYP1A2 (0.43) RAB9ASMN1; SMN2MAPTLMNATDP1
SCHEMBL4747832 0.85 CYP1A2 (0.43) RAB9ASMN1; SMN2MAPTLMNATDP1

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