SCHEMBL9126615

SCHEMBL9126615

NC(=Nc1ccccc1)Nc1ncccc1OCc1c(Cl)cccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPIA P62937 11/20 0.48
SGMS2 Q8NHU3 3/20 0.44
PPIF P30405 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
SLC6A2 P23975 1/20 0.40
KMT2A Q03164 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
PKM P14618 1/20 0.39
SGMS1 Q86VZ5 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
SCHEMBL9126733 0.93 SGMS2 (0.48) PPIASGMS2PPIFKMT2ATDP1
SCHEMBL9127905 0.92 PPIA (0.45) PPIASGMS2PPIFSIGMAR1PKM
SCHEMBL9129022 0.86 SGMS2 (0.46) PPIASGMS2PPIFLMNAKMT2A
SCHEMBL9127446 0.85 SGMS2 (0.46) PPIASGMS2PPIFLMNAKMT2A
SCHEMBL2783284 0.84 PPIA (0.58) PPIAPPIF
SCHEMBL9125087 0.84 PPIA (0.59) PPIAPPIFCYP2D6KMT2A
SCHEMBL9123963 0.84 SGMS2 (0.44) PPIASGMS2PPIFGRIN2DGRIN3B
SCHEMBL9124960 0.82 PPIA (0.47) PPIASGMS2PPIFSIGMAR1SGMS1
SCHEMBL9129424 0.82 SGMS2 (0.48) PPIASGMS2PPIFKMT2ATDP1
SCHEMBL9125077 0.82 PPIA (0.62) PPIAPPIF

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
EP-0625143-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1994-11-23 EP claimed
WO-1993015055-A1 PYRIDINE DERIVATIVES, THEIR PREPARATION AND USE AS MEDICINES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-08-05 WO claimed
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