SCHEMBL7971096

SCHEMBL7971096

O=[N+]([O-])c1ccc(NCCSCc2c[nH]cn2)nc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 2/20 0.45
KMT2A Q03164 7/20 0.44
MEN1 O00255 6/20 0.44
MAPT P10636 6/20 0.44
RAB9A P51151 4/20 0.44
GAA P10253 3/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 3/20 0.44
DPP4 P27487 2/20 0.43
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
ALOX12 P18054 1/20 0.38

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 0.84 SMN1; SMN2 (0.50) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL7972983 0.82 SMN1; SMN2 (0.48) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL7974707 0.75 TDP1 (0.49) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL7973078 0.74 CYP1A2 (0.55) SMN1; SMN2KMT2AMAPTRAB9ALMNA
SCHEMBL10738679 0.72 BCHE (0.31)
SCHEMBL7853275 0.72 KDM4E (0.45) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL5650522 0.70 SMN1; SMN2 (0.60) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL7363076 0.70 SMN1; SMN2 (0.60) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL30014816 0.70 SMN1; SMN2 (0.60) SMN1; SMN2POLBKMT2AMEN1MAPT
SCHEMBL5100760 0.70 SMN1; SMN2 (0.60) 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 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