SCHEMBL8554568

SCHEMBL8554568

O=C(CN1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1)Nc1c(Cl)cccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.58
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
NR4A2 P43354 8/20 0.46
NR4A1 P22736 2/20 0.46
NR4A3 Q92570 2/20 0.46
RXRA P19793 7/20 0.44
RXRB P28702 7/20 0.44
RXRG P48443 5/20 0.44
MEN1 O00255 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ABCC4 O15439 1/20 0.44
C5 P01031 1/20 0.44
CHRM2 P08172 1/20 0.44
CYP3A4 P08684 1/20 0.44
CHRM1 P11229 1/20 0.44

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
SCHEMBL8553599 0.91 KDR (0.48) KDRKDM4ELMNAALDH1A1MAPT
SCHEMBL8552887 0.88 NR4A2 (0.47) KDRKDM4ELMNAALDH1A1NR4A2
SCHEMBL8554274 0.87 KDR (0.45) KDRKDM4ELMNAALDH1A1MAPT
SCHEMBL8553993 0.86 KDR (0.54) KDRKDM4ELMNAALDH1A1NR4A2
SCHEMBL8555039 0.86 ATM (0.62) KDRKDM4ELMNAALDH1A1MAPT
SCHEMBL8554766 0.85 KDR (0.45) KDRKDM4ELMNAALDH1A1MAPT
SCHEMBL8554363 0.83 KDR (0.57) KDRKDM4ELMNANR4A2RXRA
SCHEMBL8556969 0.82 REV1 (0.53) KDRKDM4EALDH1A1MAPTMEN1
SCHEMBL8557836 0.81 SLC29A1 (0.43) KDRLMNAALDH1A1MAPTMEN1
SCHEMBL18409503 0.81 KDM4E (0.50) KDM4ELMNAALDH1A1NR4A2NR4A1

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