SCHEMBL7465939

SCHEMBL7465939

Cn1cc([N+](=O)[O-])cc1-c1nc2cc(C(=O)NCCC(=N)N)ccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
THRB P10828 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
F2 P00734 1/20 0.37
F10 P00742 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
PLAT P00750 1/20 0.37
PRSS1 P07477 1/20 0.37
HRAS P01112 4/20 0.37
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
FLT3 P36888 1/20 0.36

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
Hydrochloric Acid SCHEMBL7462715 0.99 MAPT (0.42) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL7471355 0.87 MAPT (0.43) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL7473157 0.85 MAPT (0.43) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL7470258 0.84 HPGD (0.46) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL7474162 0.84 HRAS (0.41) MAPTPOLBHRASESR1ESR2
Hydrochloric Acid SCHEMBL7466054 0.84 FLT3 (0.38) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL7477278 0.83 MAPT (0.42) MAPTMEN1KMT2APOLBL3MBTL1
Hydrochloric Acid SCHEMBL8987620 0.83 CHEK2 (0.50) MAPTPOLBL3MBTL1NPC1RAB9A
Hydrochloric Acid SCHEMBL7467353 0.82 MAPT (0.53) MAPTPOLBHRASESR1ESR2
Hydrochloric Acid SCHEMBL8987691 0.81 MAPT (0.49) MAPTMEN1KMT2AL3MBTL1THRB

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