SCHEMBL7467865

SCHEMBL7467865

COC(=O)c1ccc2[nH]c(-c3ccc([N+](=O)[O-])s3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.45
HPGD P15428 2/20 0.45
NFKB1 P19838 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
PKM P14618 1/20 0.45
IRAK4 Q9NWZ3 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL14665548 0.87 MMP2 (0.53) RHEBKDM4EALDH1A1NPC1RAB9A
SCHEMBL7471440 0.86 CHEK2 (0.45) KDM4EALDH1A1NPC1RAB9AHPGD
SCHEMBL1170648 0.79 KDM4E (0.61) RHEBKDM4EALDH1A1NPC1RAB9A
SCHEMBL8610747 0.79 NPBWR1 (0.60) RHEBKDM4EALDH1A1NPC1RAB9A
SCHEMBL7470449 0.78 MAPT (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2PKM
SCHEMBL5952721 0.77 RHEB (0.46) RHEBKDM4EALDH1A1NPC1RAB9A
SCHEMBL18229582 0.77 HDAC6 (0.66) HDAC6
Hydrochloric Acid SCHEMBL7466334 0.77 MAPT (0.38) PKMHDAC6L3MBTL1
SCHEMBL25318263 0.75 KDM4E (0.75) RHEBKDM4EALDH1A1NPC1RAB9A
SCHEMBL29906102 0.75 KDM4E (0.75) RHEBKDM4EALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711768-B1 BENZIMIDAZOLE DERIVATIVE MITSUI CHEMICALS INC (JP) 2002-02-13 EP disclosed
US-5852011-A Benzimidazole derivatives MITSUI CHEMICALS, INC. (JP) 1998-12-22 US disclosed
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed