SCHEMBL6629905

SCHEMBL6629905

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 7/20 0.46
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
ASH1L Q9NR48 3/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CREBBP Q92793 1/20 0.40
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 0.39
CYP1A2 P05177 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
SCHEMBL5960313 0.85 HSD17B10 (0.50) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL6630345 0.85 NR4A2 (0.49) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL27853728 0.84 NR4A2 (0.58) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL28371975 0.82 NR4A2 (0.62) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL1007089 0.81 NR4A2 (0.50) NR4A2MEN1KMT2AHPGDCREBBP
SCHEMBL27909264 0.81 GABRA1 (0.54) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL3930534 0.80 HSD17B10 (0.56) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL6991795 0.80 NR4A2 (0.51) NR4A2ALDH1A1HPGDCREBBPCYP1A2
SCHEMBL6699986 0.79 NR4A2 (0.72) NR4A2GABRA1GABRG2GABRB3GABRA3
SCHEMBL15557355 0.79 KDM4E (0.54) NR4A2GABRA1GABRG2GABRB3GABRA3

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-1483263-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER Amgen Inc. (US) 2004-12-08 EP disclosed
WO-2003070727-A1 THIAZOLYL UREA COMPOUNDS FOR THE TREATMENT OF CANCER AMGEN INC. (US) 2003-08-28 WO disclosed