SCHEMBL8554766

SCHEMBL8554766

NC(=O)C1CN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CCN1CC(=O)Nc1c(Cl)cccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.45
SLC29A1 Q99808 1/20 0.44
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
NR4A2 P43354 8/20 0.40
NR4A1 P22736 2/20 0.40
NR4A3 Q92570 2/20 0.40
RXRA P19793 10/20 0.39
RXRB P28702 10/20 0.39
RXRG P48443 8/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
ABCC4 O15439 1/20 0.39
C5 P01031 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

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
SCHEMBL8554772 0.93 SLC29A1 (0.53) KDRSLC29A1KDM4ELMNANR4A2
SCHEMBL8552619 0.93 SLC29A1 (0.53) KDRSLC29A1KDM4ELMNANR4A2
SCHEMBL8598990 0.92 SLC29A1 (0.45) KDRSLC29A1KDM4ELMNANR4A2
SCHEMBL8554585 0.90 RXRA (0.43) SLC29A1KDM4ELMNANR4A2NR4A1
SCHEMBL8414147 0.89 SLC29A1 (0.43) KDRSLC29A1KDM4ELMNANR4A2
Hydrochloric Acid SCHEMBL8595835 0.89 SLC29A1 (0.43) KDRSLC29A1KDM4ELMNANR4A2
SCHEMBL8553498 0.86 SLC29A1 (0.49) KDRSLC29A1KDM4ELMNANR4A2
SCHEMBL8553960 0.85 SLC29A1 (0.59) SLC29A1RXRARXRBRXRGALDH1A1
SCHEMBL8554568 0.85 KDR (0.58) KDRKDM4ELMNANR4A2NR4A1
SCHEMBL9410500 0.85 SLC29A1 (0.41) SLC29A1KDM4ELMNANR4A2NR4A1

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 2 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
EP-0582164-A1 Adenosine re-uptake inhibiting derivatives of diphenyl oxazoles, thiazoles and imidazoles Bristol-Myers Squibb Company (US) 1994-02-09 EP claimed