SCHEMBL7466172

SCHEMBL7466172

O=C(O)c1ccc2[nH]c(-c3nc([N+](=O)[O-])c[nH]3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 10/20 0.48
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NR4A2 P43354 1/20 0.43
HSP90AA1 P07900 1/20 0.43
ESR2 Q92731 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPBWR1 P48145 2/20 0.42
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.39
CASP6 P55212 1/20 0.38

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
SCHEMBL8602741 0.91 CHEK2 (0.57) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL828113 0.81 KDM4E (0.56) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL7476359 0.80 CHEK2 (0.50) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL4366407 0.79 NR4A2 (0.65) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL5217712 0.78 CHEK2 (0.71) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL7470356 0.77 TDP1 (0.48) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL7469217 0.77 CHEK2 (0.47) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL7461639 0.75 MMP2 (0.64) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL7471440 0.75 CHEK2 (0.45) CHEK2KDM4EALDH1A1HPGDNPC1
SCHEMBL8611572 0.75 RAB9A (0.64) CHEK2KDM4EALDH1A1HPGDNPC1

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