SCHEMBL6510754

SCHEMBL6510754

O=C(NCc1ccccc1)c1cc(Br)c([N+](=O)[O-])s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.52
HPGD P15428 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.48
HDAC1 Q13547 3/20 0.47
ALDH1A1 P00352 3/20 0.46
PTGS2 P35354 1/20 0.46
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
CSNK2A2 P19784 2/20 0.46
KDR P35968 2/20 0.46
CSNK2B P67870 2/20 0.46
CSNK2A1 P68400 2/20 0.46
POLB P06746 2/20 0.46
PLK1 P53350 1/20 0.46
CLK1 P49759 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL4928113 0.81 HPGD (0.55) HPGDKMT2AHDAC1ALDH1A1PTGS2
SCHEMBL6511520 0.79 POLB (0.57) HPGDCYP1A2CYP2C19KMT2AALDH1A1
SCHEMBL6511156 0.75 POLB (0.51) HDAC1HDAC3CSNK2A2KDRCSNK2B
SCHEMBL6513961 0.75 USP2 (0.54) HPGDKMT2AALDH1A1POLBPLK1
SCHEMBL4932450 0.72 ROCK1 (0.55) HPGDCYP3A4KMT2AHDAC1ALDH1A1
SCHEMBL4927332 0.72 HPGD (0.65) ACKR3HPGDKMT2AHDAC1ALDH1A1
SCHEMBL6511511 0.71 POLB (0.54) HPGDCYP1A2KMT2AALDH1A1POLB
SCHEMBL425495 0.71 MMP12 (0.58) HPGDKMT2AHDAC1ALDH1A1PTGS2
SCHEMBL21296309 0.70 HPGD (0.63) HPGDCYP1A2CYP3A4CYP2C19KMT2A
SCHEMBL7713793 0.70 ALOX5 (0.73) HPGDCYP3A4CYP2C19KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005082899-A1 OXAZOLIDINONE DERIVATIVES AS ANTIMICROBIALS RANBAXY LABORATORIES LIMITED (IN) 2005-09-09 WO disclosed