SCHEMBL7470449

SCHEMBL7470449

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
PKM P14618 1/20 0.39
MAPK1 P28482 1/20 0.39
HDAC6 Q9UBN7 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 1/20 0.38
FLT3 P36888 3/20 0.36
PDE10A Q9Y233 1/20 0.36
RAB9A P51151 2/20 0.35
GAA P10253 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
IRAK4 Q9NWZ3 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KMT2A Q03164 1/20 0.34
MCL1 Q07820 1/20 0.34
RECQL P46063 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL7464891 0.84 MAPT (0.40) MAPTPKMMAPK1L3MBTL1THRB
Hydrochloric Acid SCHEMBL7466334 0.84 MAPT (0.38) MAPTPKMMAPK1HDAC6L3MBTL1
SCHEMBL8987545 0.82 MMP2 (0.49) MAPTL3MBTL1RAB9ANPC1
SCHEMBL7471440 0.80 CHEK2 (0.45) MAPTHDAC6RAB9AGAASMN1; SMN2
SCHEMBL8987680 0.80 MAPT (0.51) MAPTL3MBTL1THRBRAB9AIRAK4
SCHEMBL7463872 0.79 MAPT (0.39) MAPTPKMMAPK1HDAC6L3MBTL1
SCHEMBL7467865 0.78 RHEB (0.45) PKMHDAC6L3MBTL1RAB9AIRAK4
SCHEMBL7473157 0.78 MAPT (0.43) MAPTPKMMAPK1L3MBTL1THRB
SCHEMBL7467214 0.78 MAPT (0.38) MAPTPKMMAPK1L3MBTL1THRB
SCHEMBL18229582 0.75 HDAC6 (0.66) HDAC6HDAC3HDAC1HDAC2HDAC8

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