SCHEMBL7961200

SCHEMBL7961200

O=C(Nc1cccc([N+](=O)[O-])c1)OCCCc1c[nH]cn1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
MEN1 O00255 9/20 0.51
KMT2A Q03164 9/20 0.51
MAPT P10636 4/20 0.51
LMNA P02545 3/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
DDX3X O00571 1/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL7977123 0.83 RAB9A (0.45) MEN1KMT2ALMNANPC1RAB9A
SCHEMBL7961372 0.82 NPC1 (0.62) MEN1KMT2ALMNANPSR1NPC1
SCHEMBL4387581 0.82 RAB9A (0.63) MEN1KMT2AMAPTLMNAHTT
SCHEMBL7971497 0.80 MAPT (0.46) EPHX2MEN1KMT2AMAPTLMNA
SCHEMBL4381409 0.80 CHRNB2 (0.52) MAPTLMNARAB9AALDH1A1SMN1; SMN2
SCHEMBL7972603 0.79 KMT2A (0.46) MEN1KMT2AMAPTHTTMAPK1
SCHEMBL10939381 0.79 MEN1 (0.71) EPHX2MEN1KMT2AMAPTLMNA
SCHEMBL7977166 0.77 KMT2A (0.46) MEN1KMT2AMAPTHTTNPC1
SCHEMBL7971184 0.77 EPHX1 (0.43) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL7972926 0.75 PKM (0.46) MAPTLMNAMAPK1NPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US claimed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US claimed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
US-5708171-A HISTAMINE H3-RECEPTOR ANTAGONIST INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1998-01-13 US disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed