SCHEMBL7470258

SCHEMBL7470258

CN(C)CCCNC(=O)c1ccc2[nH]c(-c3cc([N+](=O)[O-])cn3C)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
HSD17B10 Q99714 1/20 0.46
FLT3 P36888 2/20 0.45
TLR9 Q9NR96 3/20 0.44
TLR8 Q9NR97 3/20 0.44
TLR7 Q9NYK1 3/20 0.44
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
THRB P10828 1/20 0.39
DRD2 P14416 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 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
SCHEMBL7471355 0.89 MAPT (0.43) HPGDALDH1A1FLT3MAPTMEN1
SCHEMBL5444081 0.86 HPGD (0.48) HPGDKDM4EALDH1A1HSD17B10FLT3
SCHEMBL7473157 0.85 MAPT (0.43) HPGDALDH1A1FLT3MAPTMEN1
SCHEMBL8987601 0.85 MMP2 (0.50) HPGDKDM4EALDH1A1HSD17B10FLT3
SCHEMBL7465939 0.84 MAPT (0.43) FLT3MAPTMEN1POLBKMT2A
SCHEMBL7472733 0.84 ALDH1A1 (0.39) HPGDKDM4EALDH1A1MAPTMEN1
Hydrochloric Acid SCHEMBL7462715 0.84 MAPT (0.42) KDM4EFLT3MAPTMEN1POLB
SCHEMBL7470341 0.84 MAPT (0.36) FLT3MAPTMEN1POLBKMT2A
SCHEMBL7477278 0.83 MAPT (0.42) HPGDALDH1A1MAPTMEN1POLB
Hydrochloric Acid SCHEMBL7471438 0.82 KDM4E (0.45) HPGDKDM4EALDH1A1HSD17B10FLT3

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 2 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
EP-0711768-A1 BENZIMIDAZOLE DERIVATIVE MITSUI TOATSU CHEMICALS, Inc. (JP) 1996-05-15 EP disclosed