SCHEMBL9123653

SCHEMBL9123653

Cc1ccccc1COc1cccnc1NC(N)=Nc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.44
PPIA P62937 11/20 0.42
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SGMS1 Q86VZ5 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 1/20 0.39
GCK P35557 1/20 0.39
ADRA2A P08913 1/20 0.39

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
SCHEMBL9126127 0.91 PPIA (0.45) SGMS2PPIASIGMAR1TDP1SGMS1
SCHEMBL2783284 0.84 PPIA (0.58) PPIA
SCHEMBL9125719 0.81 PPIA (0.40) SGMS2PPIALMNAKMT2ASIGMAR1
SCHEMBL9128504 0.81 NPC1 (0.54) PPIA
SCHEMBL9124960 0.80 PPIA (0.47) SGMS2PPIASIGMAR1SGMS1MAPT
SCHEMBL9125087 0.80 PPIA (0.59) PPIAKMT2ACYP2D6L3MBTL1MAPT
SCHEMBL9126615 0.80 PPIA (0.48) SGMS2PPIALMNAKMT2AGRIN2D
SCHEMBL9125077 0.77 PPIA (0.62) PPIA
SCHEMBL9390400 0.77 SIGMAR1 (0.46) LMNAKMT2AGRIN2DGRIN3BCYP2D6
SCHEMBL9123645 0.77 PPIA (0.52) SGMS2PPIASGMS1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409943-A [(alkoxy)pyridinyl]amine compounds which are useful in the treatment of gastrointestinal disorders SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1995-04-25 US disclosed
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP disclosed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO disclosed