SCHEMBL8844170

SCHEMBL8844170

O=[N+]([O-])c1cccnc1C1CCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
SIGMAR1 Q99720 2/20 0.51
ACHE P22303 4/20 0.47
BCHE P06276 3/20 0.47
BACE1 P56817 3/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.46
RAB9A P51151 2/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
POLB P06746 1/20 0.46
CYP2D6 P10635 1/20 0.45
USP30 Q70CQ3 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL227230 0.81 MAPK1 (0.58) MAPK1SIGMAR1ACHEBCHEBACE1
SCHEMBL8791392 0.78 JAK2 (0.46) MAPK1SIGMAR1ACHEBCHEBACE1
SCHEMBL9092590 0.78 JAK2 (0.46) MAPK1SIGMAR1ACHEBCHEBACE1
SCHEMBL9091439 0.78 JAK2 (0.46) MAPK1SIGMAR1ACHEBCHEBACE1
SCHEMBL8409834 0.78 JAK2 (0.46) MAPK1SIGMAR1ACHEBCHEBACE1
SCHEMBL8406702 0.78 JAK2 (0.46) MAPK1SIGMAR1ACHEBCHEBACE1
SCHEMBL8409521 0.77 DRD2 (0.61) MAPK1SIGMAR1ACHEKMT2AMEN1
SCHEMBL6166008 0.77 MAPK1 (0.69) MAPK1SIGMAR1ACHEBCHEBACE1
SCHEMBL8844679 0.77 CYP3A4 (0.46) ACHEBCHEBACE1CYP2D6USP30
SCHEMBL8844616 0.76 ACHE (0.48) ACHEBCHEBACE1CYP2D6USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622966-A BACTERICIDES TREATING INFECTIONS WARNER-LAMBERT COMPANY (US) 1997-04-22 US disclosed
US-5446044-A Bactericides WARNER-LAMBERT COMPANY (US) 1995-08-29 US disclosed
US-5384407-A Pyrrolidine compounds WARNER-LAMBERT COMPANY (US) 1995-01-24 US disclosed
US-5342844-A 7-substituted quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1994-08-30 US disclosed
WO-1993016077-A1 7-SUBSTITUTED QUINOLONES AND NAPHTHYRIDONES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1993-08-19 WO disclosed
US-5221676-A 7-substituted quinolones and naphthyridones as antibacterial agents WARNER-LAMBERT COMPANY (US) 1993-06-22 US disclosed