SCHEMBL8552619

SCHEMBL8552619

NC(=O)C1CN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CCN1CC(=O)Nc1c(Cl)cc(N)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 1/20 0.53
KDR P35968 1/20 0.38
RXRA P19793 11/20 0.38
RXRB P28702 11/20 0.38
RXRG P48443 10/20 0.38
NR4A2 P43354 8/20 0.38
NR4A1 P22736 2/20 0.38
NR4A3 Q92570 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ABCC4 O15439 1/20 0.37
C5 P01031 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
CHRM1 P11229 1/20 0.37
DRD2 P14416 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGS1 P23219 1/20 0.37

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 1.00 SLC29A1 (0.53) SLC29A1KDRRXRARXRBRXRG
SCHEMBL8553498 0.94 SLC29A1 (0.49) SLC29A1KDRRXRARXRBRXRG
SCHEMBL8598990 0.93 SLC29A1 (0.45) SLC29A1KDRRXRARXRBRXRG
SCHEMBL8554766 0.93 KDR (0.45) SLC29A1KDRRXRARXRBRXRG
SCHEMBL8553960 0.92 SLC29A1 (0.59) SLC29A1RXRARXRBRXRGDRD4
SCHEMBL8414147 0.90 SLC29A1 (0.43) SLC29A1KDRRXRARXRBRXRG
Hydrochloric Acid SCHEMBL8595835 0.90 SLC29A1 (0.43) SLC29A1KDRRXRARXRBRXRG
SCHEMBL8553599 0.87 KDR (0.48) KDRRXRARXRBRXRGNR4A2
SCHEMBL8554585 0.86 RXRA (0.43) SLC29A1RXRARXRBRXRGNR4A2
SCHEMBL9410500 0.85 SLC29A1 (0.41) SLC29A1RXRARXRBRXRGNR4A2

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-0582164-B1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles BRISTOL MYERS SQUIBB CO (US) 1998-12-23 EP claimed
EP-0582164-A1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles Bristol-Myers Squibb Company (US) 1994-02-09 EP claimed
EP-0582164-B1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles BRISTOL MYERS SQUIBB CO (US) 1998-12-23 EP disclosed
US-5382584-A Antiischemic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US disclosed
EP-0582164-A1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles Bristol-Myers Squibb Company (US) 1994-02-09 EP disclosed