SCHEMBL9126091

SCHEMBL9126091

COc1ccc(COc2cccnc2NC(=N)Nc2ccc(Cl)cc2)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 4/20 0.46
PPIF P30405 1/20 0.42
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
SGMS2 Q8NHU3 2/20 0.37
PKM P14618 1/20 0.37
P2RX7 Q99572 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL9124706 0.89 PPIA (0.50) PPIAPPIFSGMS2
SCHEMBL9125562 0.89 PPIA (0.46) PPIAMEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9124787 0.85 PPIA (0.60) PPIAPPIFMEN1KMT2AMAPT
SCHEMBL9126099 0.81 PPIF (0.41) PPIAPPIFMAPTRAB9ANPC1
SCHEMBL9124032 0.80 PPIA (0.53) PPIAPPIFMAPTSMN1; SMN2RAB9A
SCHEMBL9127445 0.80 PPIA (0.48) PPIAPPIFMEN1KMT2ARAB9A
SCHEMBL9127827 0.79 PPIA (0.50) PPIAPPIFKMT2ASMN1; SMN2RAB9A
SCHEMBL9125346 0.79 PPIA (0.50) PPIAPPIFMAPTSMN1; SMN2RAB9A
SCHEMBL9126123 0.79 PPIA (0.54) PPIAMEN1KMT2ARAB9ANPC1
SCHEMBL9128706 0.79 PPIA (0.52) PPIAPPIFMEN1KMT2AMAPT

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