SCHEMBL7467184

SCHEMBL7467184

O=[N+]([O-])c1ccc(N(CCCl)CCCl)c2nonc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.56
▸ KMT2A Q03164 4/20 0.56
▸ USP2 O75604 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ TNNI3 P19429 1/20 0.48
▸ TNNT2 P45379 1/20 0.48
▸ TNNC1 P63316 1/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ GSTM2 P28161 11/20 0.47
▸ GSTP1 P09211 10/20 0.47
▸ NSD2 O96028 1/20 0.46
▸ NCOA1 Q15788 1/20 0.46
▸ NCOA3 Q9Y6Q9 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ RECQL P46063 1/20 0.45
▸ IDO1 P14902 3/20 0.45
▸ MYC P01106 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL3505281 0.85 MEN1 (0.59) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL7463890 0.85 NSD2 (0.62) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL1076589 0.84 MEN1 (0.60) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL4439764 0.81 MEN1 (0.54) MEN1KMT2AUSP2KCNH2GSTM2
SCHEMBL7052057 0.79 GSTM2 (0.66) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL6834711 0.78 MEN1 (0.69) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL17914175 0.77 MEN1 (0.63) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL17571858 0.76 MEN1 (0.52) MEN1KMT2AUSP2KCNH2GSTM2
SCHEMBL1484117 0.76 MEN1 (0.66) MEN1KMT2AUSP2POLBTNNI3
SCHEMBL4942785 0.74 MEN1 (0.56) MEN1KMT2AGSTM2GSTP1

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
Send feedback