SCHEMBL8554585

SCHEMBL8554585

Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.43
NR4A2 P43354 8/20 0.40
NR4A1 P22736 2/20 0.40
NR4A3 Q92570 2/20 0.40
RXRB P28702 7/20 0.39
RXRG P48443 4/20 0.39
KDM4E B2RXH2 1/20 0.39
ABCC4 O15439 1/20 0.39
C5 P01031 1/20 0.39
LMNA P02545 1/20 0.39
CHRM2 P08172 1/20 0.39
CYP3A4 P08684 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGS1 P23219 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 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
SCHEMBL8552468 0.91 NR4A2 (0.39) RXRANR4A2NR4A1NR4A3RXRB
SCHEMBL8554766 0.90 KDR (0.45) RXRANR4A2NR4A1NR4A3RXRB
SCHEMBL8552619 0.86 SLC29A1 (0.53) RXRANR4A2NR4A1NR4A3RXRB
SCHEMBL8554772 0.86 SLC29A1 (0.53) RXRANR4A2NR4A1NR4A3RXRB
SCHEMBL8598990 0.86 SLC29A1 (0.45) RXRANR4A2NR4A1NR4A3RXRB
SCHEMBL8552887 0.85 NR4A2 (0.47) RXRANR4A2NR4A1NR4A3RXRB
SCHEMBL8414147 0.83 SLC29A1 (0.43) RXRANR4A2NR4A1NR4A3RXRB
Hydrochloric Acid SCHEMBL8595835 0.83 SLC29A1 (0.43) RXRANR4A2NR4A1NR4A3RXRB
SCHEMBL8558999 0.81 NR4A2 (0.44) RXRANR4A2NR4A1NR4A3RXRB
SCHEMBL8556121 0.81 NR4A2 (0.44) RXRANR4A2NR4A1NR4A3RXRB

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 3 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
US-5382584-A Antiischemic agents BRISTOL-MYERS SQUIBB COMPANY (US) 1995-01-17 US 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