SCHEMBL16407600

SCHEMBL16407600

COc1ccc([N+](=O)[O-])c(NCCCCCO)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.55
LMNA P02545 2/20 0.55
GSTM2 P28161 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
TDP1 Q9NUW8 2/20 0.52
ALPG P10696 1/20 0.52
ALDH1A1 P00352 3/20 0.50
AKR1B10 O60218 1/20 0.50
AKR1B1 P15121 1/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
AKR1C2 P52895 1/20 0.50
AKR1C1 Q04828 1/20 0.50
KAT2B Q92831 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
NPC1 O15118 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
KDM4E B2RXH2 1/20 0.47

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
SCHEMBL10580319 0.91 MAPT (0.58) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL2220740 0.85 MAPT (0.59) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL762553 0.85 SMN1; SMN2 (0.60) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL6938256 0.84 MEN1 (0.55) MAPTLMNASMN1; SMN2ALDH1A1AKR1C3
SCHEMBL739095 0.84 MAPT (0.64) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL24492393 0.84 GSTM2 (0.51) MAPTGSTM2ALDH1A1KAT2BNPC1
SCHEMBL27039041 0.83 SMN1; SMN2 (0.55) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL30712055 0.83 SMN1; SMN2 (0.55) MAPTLMNASMN1; SMN2TDP1ALPG
Hydrochloric Acid SCHEMBL9760520 0.83 SMN1; SMN2 (0.55) MAPTLMNASMN1; SMN2TDP1ALPG
SCHEMBL10576590 0.82 LMNA (0.68) MAPTLMNASMN1; SMN2TDP1ALPG

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
US-9328131-B2 Benzimidazolium compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-03 US disclosed
US-9073954-B2 5-substituted benzimidazolium compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-07-07 US disclosed
WO-2015007519-A1 NOVEL BENZIMIDAZOLIUM COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-01-22 WO disclosed