SCHEMBL1983283

SCHEMBL1983283

O=[N+]([O-])c1cc(C(O)(CCCO)c2ccc(Br)cc2)ccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 12/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
XBP1 P17861 1/20 0.38
MAPK1 P28482 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
ABL1 P00519 1/20 0.37
BCR P11274 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
HSP90AA1 P07900 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL1987767 0.92 VCAM1 (0.46) VCAM1MEN1KMT2ALMNAPOLB
SCHEMBL1981967 0.89 VCAM1 (0.41) VCAM1MEN1KMT2ALMNAPOLB
SCHEMBL1985446 0.80 MEN1 (0.48) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL1984793 0.77 BCL2 (0.41) LMNAPOLBMAPTMAPK1NPSR1
SCHEMBL11506969 0.74 VCAM1 (0.46) VCAM1MEN1KMT2ALMNAPOLB
SCHEMBL1988552 0.72 TSHR (0.49) POLBMAPTALDH1A1
SCHEMBL11625311 0.72 ALDH1A1 (0.48) VCAM1MEN1KMT2ALMNAMAPT
SCHEMBL30955236 0.70 VCAM1 (0.56) VCAM1MAPK1
SCHEMBL2873685 0.70 VCAM1 (0.56) VCAM1MAPK1
SCHEMBL12591651 0.70 VCAM1 (0.53) VCAM1MEN1KMT2ALMNAPOLB

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-2337781-A2 ANTI-VIRAL COMPOUNDS TO TREAT HCV INFECTION Abbott Laboratories (US) 2011-06-29 EP disclosed
WO-2010144646-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2010-12-16 WO disclosed