SCHEMBL8552938

SCHEMBL8552938

Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3cccc(Cl)c3)c(-c3cccc(Cl)c3)o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.46
RXRB P28702 2/20 0.46
RXRG P48443 2/20 0.46
NR4A2 P43354 1/20 0.46
KMT2A Q03164 1/20 0.44
KCNH2 Q12809 1/20 0.44
CETP P11597 1/20 0.43
S1PR4 O95977 1/20 0.42
AXL P30530 1/20 0.41
KDR P35968 1/20 0.41
DRD4 P21917 2/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL8552887 0.88 NR4A2 (0.47) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL8557576 0.83 MEN1 (0.52) RXRARXRBKMT2AKCNH2DRD4
SCHEMBL8553475 0.83 GAA (0.45) RXRARXRBKMT2AKCNH2DRD4
SCHEMBL8557330 0.81 CETP (0.43) RXRARXRBRXRGKMT2AKCNH2
Hydrochloric Acid SCHEMBL8554703 0.81 GAA (0.43) RXRARXRBKMT2AKCNH2DRD4
SCHEMBL8554568 0.80 KDR (0.58) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL8555057 0.79 NR4A2 (0.51) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL8553599 0.77 KDR (0.48) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL8558360 0.76 RXRA (0.50) RXRARXRBRXRGNR4A2KMT2A
SCHEMBL8555039 0.76 ATM (0.62) RXRARXRBRXRGKMT2AKDR

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