SCHEMBL7465274

SCHEMBL7465274

O=C(c1cc(N(CCCl)CCCl)ccc1[N+](=O)[O-])N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 1/20 0.46
MAPT P10636 5/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.44
MEN1 O00255 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.44
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL7465969 0.90 SMN1; SMN2 (0.53) SMN1; SMN2ALDH1A1KDM4EGAAMAPT
SCHEMBL7472475 0.78 SMN1; SMN2 (0.81) SMN1; SMN2ALDH1A1KDM4EGAAMAPT
SCHEMBL6081501 0.77 POLB (0.51) SMN1; SMN2ALDH1A1GAAMAPTNPC1
SCHEMBL9029757 0.72 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4EMAPTNPC1
SCHEMBL16406345 0.71 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4EGAAMAPT
SCHEMBL7474447 0.70 SMN1; SMN2 (0.44) SMN1; SMN2ALDH1A1MAPTNPC1LMNA
SCHEMBL4893361 0.70 KMT2A (0.60) SMN1; SMN2ALDH1A1KDM4EGAAMAPT
SCHEMBL9760661 0.70 MAPT (0.77) SMN1; SMN2ALDH1A1KDM4EGAAMAPT
SCHEMBL12260740 0.70 KMT2A (0.60) SMN1; SMN2ALDH1A1KDM4EGAAMAPT
SCHEMBL546063 0.69 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1KDM4EGAAMAPT

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