SCHEMBL8987618

SCHEMBL8987618

O=C(Nc1ccc(N(CCCl)CCCl)cc1)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.59
MMP9 P14780 5/20 0.59
MMP8 P22894 5/20 0.59
MMP13 P45452 5/20 0.59
MAPT P10636 3/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
CACNA1B Q00975 1/20 0.51
APBA1 Q02410 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HPSE Q9Y251 1/20 0.48
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
CHEK2 O96017 1/20 0.46
NPC1 O15118 1/20 0.46
NPBWR1 P48145 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
SCHEMBL8987520 0.91 MMP13 (0.54) MMP2MMP9MMP8MMP13MAPT
SCHEMBL7468975 0.86 MAPT (0.44) MMP2MMP9MMP8MMP13MAPT
SCHEMBL14381566 0.85 MMP2 (0.68) MMP2MMP9MMP8MMP13MAPT
SCHEMBL7469008 0.85 MAPT (0.50) MMP2MMP9MMP8MMP13MAPT
SCHEMBL14381553 0.84 MMP2 (0.69) MMP2MMP9MMP8MMP13MAPT
SCHEMBL14381527 0.83 MMP2 (0.68) MMP2MMP9MMP8MMP13MAPT
SCHEMBL8772113 0.83 HPSE (0.58) MMP2MMP9MMP8MMP13MAPT
SCHEMBL7468134 0.82 MAPT (0.49) MMP2MMP9MMP8MMP13MAPT
SCHEMBL7467562 0.81 MAPT (0.44) MMP2MMP9MMP8MMP13MAPT
Hydrochloric Acid SCHEMBL8987677 0.80 CHEK2 (0.45) 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