SCHEMBL8987520

SCHEMBL8987520

O=C(Nc1ccc(N(CCCl)CCCl)cc1)c1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 6/20 0.54
MMP2 P08253 5/20 0.54
MMP9 P14780 5/20 0.54
MMP8 P22894 5/20 0.54
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
RECQL P46063 2/20 0.47
BLM P54132 1/20 0.47
CACNA1B Q00975 1/20 0.47
APBA1 Q02410 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 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
SCHEMBL8987618 0.91 MMP2 (0.59) MMP13MMP2MMP9MMP8MEN1
SCHEMBL8987554 0.90 MMP13 (0.49) MMP13MMP2MMP9MMP8MEN1
SCHEMBL8987678 0.89 MMP2 (0.52) MMP13MMP2MMP9MMP8MEN1
SCHEMBL7468975 0.84 MAPT (0.44) MMP13MMP2MMP9MMP8MEN1
SCHEMBL8987569 0.83 MAPT (0.53) MMP13MMP2MMP9MMP8MEN1
SCHEMBL7469008 0.83 MAPT (0.50) MMP13MMP2MMP9MMP8MEN1
SCHEMBL7468134 0.80 MAPT (0.49) MMP13MMP2MMP9MMP8MEN1
SCHEMBL8987549 0.80 MAPT (0.49) MMP13MMP2MMP9MMP8MEN1
SCHEMBL7467562 0.79 MAPT (0.44) MMP13MMP2MMP9MMP8MEN1
Hydrochloric Acid SCHEMBL8987608 0.79 MAPT (0.48) MMP13MMP2MMP9MMP8MEN1

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
EP-0719765-A2 Phenylbenzimidazole derivatives MITSUI TOATSU CHEMICALS, INC. (JP) 1996-07-03 EP disclosed