SCHEMBL6650264

SCHEMBL6650264

CC(C)(C)OC(=O)c1c[nH]c2ccc(CSC3CCCCC3)cc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.45
GABRB2 P47870 3/20 0.45
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.41
NR4A2 P43354 4/20 0.39
ALDH1A1 P00352 1/20 0.39
KDM4E B2RXH2 1/20 0.38
TSHR P16473 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
SCHEMBL6676999 0.85 GABRA1 (0.47) GABRA1GABRB2POLBNR4A2ALDH1A1
SCHEMBL6652006 0.80 ALDH1A1 (0.46) GABRA1GABRB2POLBNR4A2ALDH1A1
SCHEMBL6647509 0.78 NR4A2 (0.49) GABRA1GABRB2KMT2ANR4A2
SCHEMBL6648434 0.77 GABRA1 (0.46) GABRA1GABRB2NR4A2
SCHEMBL6645714 0.74 NR4A2 (0.39) GABRA1GABRB2KMT2ANR4A2ALDH1A1
SCHEMBL4375343 0.74 GABRG2 (0.53) GABRA1KMT2ANR4A2
SCHEMBL6991795 0.72 NR4A2 (0.51) NR4A2ALDH1A1KDM4ETSHR
SCHEMBL27804319 0.72 HDAC1 (0.46) POLBALDH1A1
SCHEMBL6699986 0.71 NR4A2 (0.72) GABRA1GABRB2NR4A2
SCHEMBL1007089 0.71 NR4A2 (0.50) KMT2ANR4A2

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