SCHEMBL9122331

SCHEMBL9122331

Cc1ccc(COc2cccnc2NC(=N)Nc2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPIA P62937 15/20 0.61
PPIF P30405 2/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.41
GAA P10253 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
THRB P10828 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 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
SCHEMBL9124787 0.90 PPIA (0.60) PPIAPPIFRAB9APOLBGAA
SCHEMBL9125073 0.90 PPIA (0.75) PPIAPPIF
SCHEMBL9125085 0.90 PPIA (0.68) PPIAPPIF
SCHEMBL9125484 0.87 PPIA (0.61) PPIAPPIFRAB9AGAAMAPT
SCHEMBL9125096 0.85 PPIA (0.51) PPIAPPIFRAB9AMEN1KMT2A
SCHEMBL9126123 0.83 PPIA (0.54) PPIARAB9AMEN1KMT2A
SCHEMBL9127894 0.82 PPIA (0.55) PPIAPPIFRAB9APOLBMAPT
SCHEMBL9124958 0.81 PPIA (0.56) PPIAPPIFRAB9AGAAMAPT
SCHEMBL2783281 0.81 PPIA (0.72) PPIAPPIF
SCHEMBL9127445 0.80 PPIA (0.48) PPIAPPIFRAB9AMEN1KMT2A

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