SCHEMBL9126099

SCHEMBL9126099

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPIF P30405 1/20 0.41
PPIA P62937 3/20 0.39
SIGMAR1 Q99720 2/20 0.38
CSF1R P07333 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
CRHBP P24387 2/20 0.36
CRHR2 Q13324 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
P2RX7 Q99572 1/20 0.36
PARP14 Q460N5 1/20 0.36
PARP10 Q53GL7 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SGMS2 Q8NHU3 1/20 0.35
MTNR1B P49286 1/20 0.35
ADRA2A P08913 1/20 0.34
TLR4 O00206 1/20 0.34

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
SCHEMBL9124709 0.90 PPIA (0.44) PPIFPPIASIGMAR1
SCHEMBL9124791 0.86 NPC1 (0.51) PPIFPPIASIGMAR1ALDH1A1MAPT
SCHEMBL9126091 0.81 PPIA (0.46) PPIFPPIAALDH1A1MAPTKDM4E
SCHEMBL9125562 0.81 PPIA (0.46) PPIAALDH1A1MAPTKDM4ENPC1
SCHEMBL9124036 0.81 PPIF (0.48) PPIFPPIASIGMAR1ALDH1A1SGMS2
SCHEMBL9125719 0.80 PPIA (0.40) PPIFPPIASIGMAR1ALDH1A1MAPT
SCHEMBL9127446 0.80 SGMS2 (0.46) PPIFPPIASIGMAR1ALDH1A1MAPT
SCHEMBL9125354 0.80 SGMS2 (0.46) PPIFPPIASIGMAR1ALDH1A1KDM4E
SCHEMBL9126127 0.80 PPIA (0.45) PPIFPPIASIGMAR1MAPTRAB9A
SCHEMBL9128712 0.80 PPIA (0.43) PPIFPPIASIGMAR1ALDH1A1SGMS2

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