SCHEMBL6645844

SCHEMBL6645844

C=Cc1ccc2c(C(=O)OC(C)(C)C)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 8/20 0.47
CREBBP Q92793 1/20 0.40
MAPT P10636 1/20 0.39
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL6649109 0.90 NR4A2 (0.47) NR4A2CREBBPMAPT
SCHEMBL1759575 0.88 NR4A2 (0.48) NR4A2CREBBPMAPTTUBB1
SCHEMBL6649574 0.83 NR4A2 (0.43) NR4A2CREBBPMAPTTUBB1
SCHEMBL6647107 0.82 NR4A2 (0.48) NR4A2CREBBPMAPT
SCHEMBL1696922 0.81 NR4A2 (0.51) NR4A2CREBBPMAPTTUBB1
SCHEMBL7360321 0.80 NR4A2 (0.50) NR4A2CREBBPMAPTTUBB1
SCHEMBL6511301 0.80 NR4A2 (0.50) NR4A2CREBBPMAPTTUBB1
SCHEMBL30009696 0.80 NR4A2 (0.50) NR4A2CREBBPMAPTTUBB1
SCHEMBL5507447 0.80 NR4A2 (0.72) NR4A2CREBBPMAPTTUBB1
SCHEMBL31618837 0.80 NR4A2 (0.56) NR4A2CREBBPMAPTTUBB1

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-1474425-A1 DEAZAPURINES AND USES THEREOF Eisai Co. Ltd. (JP) 2004-11-10 EP disclosed
WO-2004063336-A2 USES OF DEAZAPURINES FOR THE TREATMENT OF REPERFUSION INJURIES, OSTEOPOROSIS AND/OR BONE METASTASIS EISAI CO. LTD. (JP) 2004-07-29 WO disclosed
WO-2003057696-A1 DEAZAPURINES AND USES THEREOF EISAI CO. LTD. (JP) 2003-07-17 WO disclosed