SCHEMBL7460611

SCHEMBL7460611

Cn1cc([N+](=O)[O-])cc1-c1nc2cc(C(=O)NCCc3ccc(N(CCCl)CCCl)cc3)ccc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.39
MAPT P10636 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
THRB P10828 1/20 0.38
ESRRG P62508 3/20 0.38
HRAS P01112 2/20 0.38
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
RAB9A P51151 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL7472733 0.96 ALDH1A1 (0.39) CNR1MAPTL3MBTL1MEN1POLB
SCHEMBL7469008 0.88 MAPT (0.50) MAPTMEN1POLBKMT2AHRAS
SCHEMBL7470341 0.88 MAPT (0.36) MAPTL3MBTL1MEN1POLBKMT2A
SCHEMBL7468134 0.85 MAPT (0.49) MAPTMEN1POLBKMT2AHRAS
SCHEMBL7463241 0.84 MAPT (0.42) MAPTMEN1POLBKMT2ATHRB
SCHEMBL7470426 0.83 MAPT (0.49) MAPTMEN1POLBKMT2ATHRB
SCHEMBL7470258 0.82 HPGD (0.46) MAPTL3MBTL1MEN1POLBKMT2A
SCHEMBL7472474 0.81 HRAS (0.42) CNR1MEN1KMT2AESRRGHRAS
Hydrochloric Acid SCHEMBL7476431 0.80 HRAS (0.47) CNR1ESRRGHRASESR1ESR2
SCHEMBL7463869 0.80 MAPT (0.48) MAPTMEN1POLBKMT2ATHRB

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