SCHEMBL7465969

SCHEMBL7465969

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

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 3/20 0.50
GAA P10253 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
MAPT P10636 4/20 0.45
MGLL Q99685 1/20 0.44
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL7465274 0.90 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1KDM4EGAANPC1
SCHEMBL9029757 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1KDM4ETDP1TSHR
SCHEMBL11308452 0.78 MAPT (0.53) SMN1; SMN2ALDH1A1KDM4EGAATDP1
SCHEMBL7472475 0.77 SMN1; SMN2 (0.81) SMN1; SMN2ALDH1A1KDM4EGAATSHR
SCHEMBL6081501 0.75 POLB (0.51) SMN1; SMN2ALDH1A1GAANPC1RAB9A
SCHEMBL16406345 0.71 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1KDM4EGAATSHR
SCHEMBL7900446 0.70 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1KDM4EGAATDP1
SCHEMBL9760661 0.70 MAPT (0.77) SMN1; SMN2ALDH1A1KDM4EGAATDP1
SCHEMBL7519583 0.70 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1KDM4EGAATDP1
SCHEMBL546063 0.70 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1KDM4EGAANPC1

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