SCHEMBL8553960

SCHEMBL8553960

NC(=O)C1CN(Cc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)o2)CCN1CC(=O)Nc1c(Cl)cc(N)cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.59
MAOB P27338 3/20 0.34
OGA O60502 1/20 0.34
MAP4K4 O95819 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXRA P19793 6/20 0.32
RXRB P28702 6/20 0.32
RXRG P48443 6/20 0.32
DRD4 P21917 1/20 0.32
KMT2A Q03164 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CNR1 P21554 1/20 0.31
CCR5 P51681 1/20 0.31

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
SCHEMBL8554772 0.92 SLC29A1 (0.53) SLC29A1RXRARXRBRXRGDRD4
SCHEMBL8552619 0.92 SLC29A1 (0.53) SLC29A1RXRARXRBRXRGDRD4
SCHEMBL8557836 0.87 SLC29A1 (0.43) SLC29A1OGAMAP4K4ALDH1A1NPC1
SCHEMBL8553498 0.86 SLC29A1 (0.49) SLC29A1RXRARXRBRXRGDRD4
SCHEMBL8598990 0.85 SLC29A1 (0.45) SLC29A1RXRARXRBRXRGDRD4
SCHEMBL8554766 0.85 KDR (0.45) SLC29A1ALDH1A1RXRARXRBRXRG
SCHEMBL8414147 0.83 SLC29A1 (0.43) SLC29A1RXRARXRBRXRGDRD4
Hydrochloric Acid SCHEMBL8595835 0.82 SLC29A1 (0.43) SLC29A1ALDH1A1RXRARXRBRXRG
SCHEMBL8557834 0.81 SLC29A1 (0.36) SLC29A1MAOBRXRARXRBRXRG
SCHEMBL8554585 0.79 RXRA (0.43) SLC29A1RXRARXRBRXRG

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