SCHEMBL8552887

SCHEMBL8552887

Cc1cccc(C)c1NC(=O)CN1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 9/20 0.47
RXRA P19793 7/20 0.47
RXRB P28702 5/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NR4A1 P22736 2/20 0.46
NR4A3 Q92570 2/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.45
DRD2 P14416 2/20 0.45
HTR2A P28223 2/20 0.45
ADRA1A P35348 2/20 0.45
HRH1 P35367 2/20 0.45
DRD3 P35462 2/20 0.45
MLNR O43193 1/20 0.45
NR1I2 O75469 1/20 0.45
USP2 O75604 1/20 0.45
CYP1A2 P05177 1/20 0.45
PGR P06401 1/20 0.45

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
SCHEMBL8557576 0.91 MEN1 (0.52) RXRARXRBMEN1KMT2AALDH1A1
SCHEMBL8553475 0.91 GAA (0.45) RXRARXRBMEN1KMT2AALDH1A1
SCHEMBL8555057 0.90 NR4A2 (0.51) NR4A2RXRARXRBMEN1KMT2A
Hydrochloric Acid SCHEMBL8554703 0.89 GAA (0.43) RXRARXRBMEN1KMT2AALDH1A1
SCHEMBL8557330 0.89 CETP (0.43) RXRARXRBMEN1KMT2AALDH1A1
SCHEMBL8554568 0.88 KDR (0.58) NR4A2RXRARXRBMEN1KMT2A
SCHEMBL8558360 0.88 RXRA (0.50) NR4A2RXRARXRBMEN1KMT2A
SCHEMBL8552938 0.88 RXRA (0.46) NR4A2RXRARXRBKMT2AALDH1A1
SCHEMBL8554363 0.87 KDR (0.57) NR4A2RXRARXRBMEN1KMT2A
SCHEMBL8553993 0.86 KDR (0.54) NR4A2RXRARXRBMEN1KMT2A

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
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
JP-6157472-A None JP disclosed
JP-H06157472-A ADENOSINE RE-UPTAKE INHIBITING DERIVATIVE OF DIPHENYL OXAZOLE, THIAZOLE AND IMIDAZOLE BRISTOL MYERS SQUIBB CO 1994-06-03 JP disclosed