SCHEMBL8554363

SCHEMBL8554363

Cc1ccc(NC(=O)CN2CCN(Cc3nc(-c4ccccc4)c(-c4ccccc4)o3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 4/20 0.57
RXRA P19793 2/20 0.53
RXRB P28702 2/20 0.53
KCNA5 P22460 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
LMNA P02545 3/20 0.49
ATM Q13315 1/20 0.49
OGA O60502 1/20 0.48
NR4A2 P43354 1/20 0.48
TP53 P04637 1/20 0.48
KDM4E B2RXH2 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8553993 0.94 KDR (0.54) KDRRXRARXRBMEN1KMT2A
SCHEMBL8555039 0.91 ATM (0.62) KDRRXRARXRBKCNA5MEN1
SCHEMBL8556969 0.91 REV1 (0.53) KDRMEN1KMT2AATMOGA
SCHEMBL8557154 0.90 KDR (0.60) KDRKCNA5MEN1KMT2ALMNA
SCHEMBL8552887 0.87 NR4A2 (0.47) KDRRXRARXRBMEN1KMT2A
SCHEMBL8554568 0.83 KDR (0.58) KDRRXRARXRBMEN1KMT2A
SCHEMBL18409505 0.81 LMNA (0.56) RXRARXRBLMNANR4A2KDM4E
SCHEMBL8553599 0.80 KDR (0.48) KDRRXRARXRBMEN1KMT2A
SCHEMBL18409351 0.79 ALDH1A1 (0.54) KDRRXRARXRBLMNANR4A2
SCHEMBL8557576 0.79 MEN1 (0.52) RXRARXRBMEN1KMT2ALMNA

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