SCHEMBL9126340

SCHEMBL9126340

Cc1ccccc1COc1cccnc1NC(=S)Nc1ccc(Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 3/20 0.54
RAB9A P51151 6/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 6/20 0.49
NPC1 O15118 3/20 0.49
LMNA P02545 2/20 0.49
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
SGMS2 Q8NHU3 3/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
SGMS1 Q86VZ5 1/20 0.42

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
SCHEMBL9123713 0.91 ALDH1A1 (0.53) PPIARAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL9123692 0.91 PPIA (0.49) PPIARAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL9126341 0.89 PPIA (0.56) PPIARAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL9125751 0.87 PPIA (0.54) PPIASMN1; SMN2KMT2AMAPTMEN1
SCHEMBL9126123 0.87 PPIA (0.54) PPIARAB9AKMT2AMEN1NPC1
SCHEMBL9126145 0.84 PPIA (0.75) PPIAKMT2AMAPTMEN1ALDH1A1
SCHEMBL9126357 0.84 PPIA (0.51) PPIARAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL9125484 0.83 PPIA (0.61) PPIARAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL9123466 0.83 PPIA (0.50) PPIARAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL9124394 0.82 PPIA (0.68) PPIAKMT2AMEN1ALOX12CYP1A2

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