SCHEMBL27656182

SCHEMBL27656182

O=C(O)c1ccn(-c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 1/20 0.45
SCN9A Q15858 1/20 0.43
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 1/20 0.41
EPHX2 P34913 2/20 0.41
PDE5A O76074 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
FAAH O00519 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
SCHEMBL509170 0.82 MAPT (0.47) TP53SMN1; SMN2EPHX2L3MBTL1CNR1
SCHEMBL7055587 0.80 RPA1 (0.51) MARS1TP53KMT2AL3MBTL1MAPT
SCHEMBL2360605 0.80 UBE2N (0.48) KMT2APOLBNPC1MAPTRAB9A
SCHEMBL14152395 0.79 ALDH1A1 (0.43) SMN1; SMN2KMT2AMAPTALDH1A1
SCHEMBL181851 0.79 GCGR (0.47) MARS1EPHX2PDE5AL3MBTL1AURKA
SCHEMBL8087729 0.78 RXRA (0.40) TP53SMN1; SMN2EPHX2L3MBTL1POLB
SCHEMBL16875429 0.78 RXRA (0.50) L3MBTL1
SCHEMBL14150735 0.78 KMT2A (0.64) KMT2AL3MBTL1MAPT
SCHEMBL31031032 0.76 KMT2A (0.45) TP53KMT2APOLBMAPTALDH1A1
SCHEMBL182081 0.76 MRGPRX4 (0.49) TP53KMT2AAURKATPX2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102869661-B Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2015-08-05 CN disclosed
CN-102869661-A Anti-infective compounds PASTEUR INSTITUT KOREA 2013-01-09 CN disclosed
CN-100467463-C Pyrazolylindolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-03-11 CN disclosed
CN-1930150-A Pyrazolyl indolyl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2007-03-14 CN disclosed