SCHEMBL6218322

SCHEMBL6218322

COc1cc(C(Br)C=O)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 2/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 6/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
SIRT6 Q8N6T7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 2/20 0.40
CHEK1 O14757 2/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39
TUBA3C P0DPH7 1/20 0.39
TUBA1B P68363 1/20 0.39
TUBA4A P68366 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
SCHEMBL4346881 0.88 TUBB4A (0.48) ALDH1A1TDP1LMNAMAPTKDM4E
SCHEMBL20500983 0.88 TUBB4A (0.48) ALDH1A1TDP1LMNAMAPTKDM4E
SCHEMBL3875000 0.82 ALDH1A1 (0.45) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL12614866 0.80 MAPT (0.46) ALDH1A1LMNAMAPTKDM4ECYP3A4
SCHEMBL15649986 0.80 MAPT (0.53) ALDH1A1TDP1MAPTKDM4ECYP3A4
SCHEMBL10510116 0.80 ALDH1A1 (0.44) ALDH1A1TDP1LMNAMAPTKDM4E
SCHEMBL12040936 0.80 ALDH1A1 (0.53) ALDH1A1TDP1LMNAMAPTKDM4E
SCHEMBL4349469 0.79 GAA (0.50) ALDH1A1TDP1CYP3A4PRKDCL3MBTL1
SCHEMBL18970268 0.78 ALDH1A1 (0.51) ALDH1A1TDP1LMNAMAPTKDM4E
SCHEMBL16955366 0.78 ALDH1A1 (0.47) ALDH1A1TDP1LMNAMAPTKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495023-A1 NOVEL 1,2,3-SUBSTITUTED INDOLIZINE DERIVATIVES, INHIBITORS OF FGFS, METHOD FOR MAKING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Sanofi-Aventis (FR) 2005-01-12 EP disclosed
WO-2003084956-A1 NOVEL 1,2,3-SUBSTITUTED INDOLIZINE DERIVATIVES, INHIBITORS OF FGFS, METHOD FOR MAKING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME SANOFI-AVENTIS (FR) 2003-10-16 WO disclosed