SCHEMBL27520455

SCHEMBL27520455

O=C(O)c1ccc(CNC(=O)C(Br)CCBr)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.53
NR1H4 Q96RI1 6/20 0.47
EPHX2 P34913 4/20 0.47
ALDH1A1 P00352 1/20 0.44
SELL P14151 2/20 0.43
SELP P16109 2/20 0.43
SELE P16581 2/20 0.43
MEN1 O00255 1/20 0.43
NAMPT P43490 1/20 0.40

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
SCHEMBL8568653 0.86 MMP8 (0.51) KMT2AALDH1A1MEN1
SCHEMBL8568656 0.86 MMP8 (0.51) KMT2AALDH1A1MEN1
SCHEMBL8562675 0.83 HPGD (0.49) KMT2AALDH1A1
SCHEMBL16885994 0.83 KMT2A (0.54) KMT2AALDH1A1MEN1
SCHEMBL8562678 0.83 HPGD (0.49) KMT2AALDH1A1
SCHEMBL1543096 0.83 MEN1 (0.54) KMT2AALDH1A1MEN1
SCHEMBL27485082 0.82 NPC1 (0.44) KMT2AMEN1
SCHEMBL8562874 0.80 SMO (0.46) KMT2ANR1H4EPHX2MEN1NAMPT
SCHEMBL8561475 0.79 MTOR (0.47) KMT2AEPHX2MEN1NAMPT
SCHEMBL8562987 0.79 ALDH1A1 (0.51) KMT2AALDH1A1MEN1

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
CN-1150950-A Cephalosporin derivatives HOFFMANN LA ROCHE (CH) 1997-06-04 CN disclosed