SCHEMBL10375808

SCHEMBL10375808

O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNc3nc4ccccc4n3CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.50
GBA1 P04062 2/20 0.49
PKM P14618 1/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 2/20 0.44
HSP90AA1 P07900 1/20 0.44
KMT2A Q03164 1/20 0.44
IKBKB O14920 1/20 0.44
CHUK O15111 1/20 0.44
HSD11B1 P28845 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FAAH O00519 2/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9695979 0.81 ALDH1A1 (0.50) PKMMAPTALDH1A1KMT2AIKBKB
SCHEMBL31249024 0.73 KDM4E (0.61) PKMALDH1A1KMT2ASMN1; SMN2
SCHEMBL839645 0.73 KDM4E (0.61) PKMALDH1A1KMT2ASMN1; SMN2
SCHEMBL1519692 0.73 ALDH1A1 (0.69) ALDH1A1HSP90AA1KMT2AHSD11B1SMN1; SMN2
SCHEMBL832452 0.73 MAPT (0.54) PKMMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL830827 0.73 ALDH1A1 (0.46) MAPTALDH1A1
SCHEMBL1871493 0.72 MAPT (0.63) PKMMAPTALDH1A1HSP90AA1KMT2A
SCHEMBL6792448 0.69 IKBKB (0.61) MAPTALDH1A1HSP90AA1KMT2AIKBKB
SCHEMBL11508407 0.68 KDM4E (0.70) PKMMAPTALDH1A1KMT2AHSD11B1
SCHEMBL32688151 0.68 KDM4E (0.63) PKMMAPTALDH1A1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0358749-A1 1,4-SUBSTITUTED-2,3,5,6-TETRAHYDRO 1,3,6]TRIAZOCINO 1,2-a]BENZIMIDAZOLES AND INTERMEDIATES THEREFOR AMERICAN HOME PRODUCTS CORPORATION (US) 1990-03-21 EP claimed
WO-1989008111-A1 1,4-SUBSTITUTED-2,3,5,6-TETRAHYDRO[1,3,6]TRIAZOCINO[1,2-a]BENZIMIDAZOLES AND INTERMEDIATES THEREFOR AMERICAN HOME PRODUCTS CORPORATION (US) 1989-09-08 WO claimed
US-4935515-A ANTIARRHYTHMIA AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-06-19 US disclosed
US-4882323-A ANTIARRYTHMIA AGENT INTERMEDIATES AMERICAN HOME PRODUCTS (US) 1989-11-21 US disclosed