SCHEMBL7972983

SCHEMBL7972983

O=[N+]([O-])c1ccc(NCCCc2c[nH]cn2)nc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 5/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 3/20 0.46
DPP4 P27487 2/20 0.45
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.42
ALOX12 P18054 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40

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
SCHEMBL7974376 0.93 SMN1; SMN2 (0.50) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL7971096 0.82 SMN1; SMN2 (0.45) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL6657510 0.76 SMN1; SMN2 (0.57) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL5099213 0.76 SMN1; SMN2 (0.57) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL7972639 0.76 MAPT (0.48) SMN1; SMN2KMT2AMEN1MAPTRAB9A
SCHEMBL3941650 0.75 SMN1; SMN2 (0.56) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL7853275 0.74 KDM4E (0.45) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL10428096 0.74 SMN1; SMN2 (0.55) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL10514450 0.74 SMN1; SMN2 (0.55) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL10428305 0.74 SMN1; SMN2 (0.55) SMN1; SMN2POLBKMT2AMEN1MAPT

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 9 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
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP claimed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO 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
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP disclosed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO disclosed