SCHEMBL8557838

SCHEMBL8557838

NC(=O)C(c1c(Cl)cc(N)cc1Cl)N1CCN(Cc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)o2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.35
KCNK9 Q9NPC2 1/20 0.35
RXRA P19793 6/20 0.35
RXRB P28702 6/20 0.35
RXRG P48443 6/20 0.35
NR4A2 P43354 1/20 0.34
PTGS1 P23219 1/20 0.34
EPHX2 P34913 1/20 0.34
PTGS2 P35354 1/20 0.34
ALOX5 P09917 1/20 0.34
HRH1 P35367 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CACNA1G O43497 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL8557836 0.80 SLC29A1 (0.43) ALDH1A1LMNATSHRHTT
SCHEMBL8557834 0.78 SLC29A1 (0.36) KCNK3KCNK9RXRARXRBRXRG
SCHEMBL8553960 0.74 SLC29A1 (0.59) RXRARXRBRXRGALDH1A1
SCHEMBL8553599 0.71 KDR (0.48) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL18409631 0.70 KCNH2 (0.49) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL8556969 0.66 REV1 (0.53) ALDH1A1TSHR
SCHEMBL8557576 0.66 MEN1 (0.52) RXRARXRBHRH1ALDH1A1LMNA
SCHEMBL8552619 0.65 SLC29A1 (0.53) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL8554772 0.65 SLC29A1 (0.53) RXRARXRBRXRGNR4A2PTGS1
SCHEMBL18409480 0.64 ALDH1A1 (0.54) KCNK3KCNK9ALDH1A1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0582164-B1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles BRISTOL MYERS SQUIBB CO (US) 1998-12-23 EP claimed