SCHEMBL8987678

SCHEMBL8987678

Cc1cc(NC(=O)c2ccc3[nH]c(-c4cccc([N+](=O)[O-])c4)nc3c2)ccc1N(CCCl)CCCl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.52
MMP9 P14780 5/20 0.52
MMP8 P22894 5/20 0.52
MMP13 P45452 5/20 0.52
IRAK4 Q9NWZ3 1/20 0.45
MAPT P10636 7/20 0.44
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
RAB9A P51151 4/20 0.44
RECQL P46063 3/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
KDM4E B2RXH2 1/20 0.44
THRB P10828 1/20 0.44
ATM Q13315 1/20 0.44
BLM P54132 1/20 0.43
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
PKM P14618 1/20 0.43

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
SCHEMBL8987554 0.92 MMP13 (0.49) MMP2MMP9MMP8MMP13IRAK4
SCHEMBL8987520 0.89 MMP13 (0.54) MMP2MMP9MMP8MMP13IRAK4
SCHEMBL7463992 0.85 MAPT (0.49) MMP2MMP9MMP8MMP13IRAK4
SCHEMBL8987636 0.83 MAPT (0.47) MMP2MMP9MMP8MMP13MAPT
SCHEMBL8987682 0.82 MAPT (0.46) MMP2MMP9MMP8MMP13MAPT
Iodide SCHEMBL8987612 0.82 MAPT (0.46) MMP2MMP9MMP8MMP13MAPT
Hydrochloric Acid SCHEMBL8987633 0.81 MAPT (0.45) MMP2MMP9MMP8MMP13MAPT
SCHEMBL8987463 0.80 MAPT (0.44) MMP2MMP9MMP8MMP13MAPT
SCHEMBL8987618 0.80 MMP2 (0.59) MMP2MMP9MMP8MMP13MAPT
Hydrochloric Acid SCHEMBL8987710 0.79 KDM4E (0.43) MMP2MMP9MMP8MMP13MAPT

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