SCHEMBL7488308

SCHEMBL7488308

CC(C)(C)OC(=O)n1c2c(c3cc(Br)ccc31)CCCC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.53
CDK1 P06493 1/20 0.53
CCNB1 P14635 1/20 0.53
GSK3B P49841 1/20 0.53
CCNB3 Q8WWL7 1/20 0.53
BAZ2B Q9UIF8 1/20 0.48
HTR6 P50406 1/20 0.44
KRAS P01116 5/20 0.43
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
HSD17B10 Q99714 1/20 0.40
ALOX5 P09917 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37

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
SCHEMBL31716058 0.90 CCNB2 (0.43) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL7547754 0.85 HTR6 (0.55) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL2188101 0.84 CCNB2 (0.49) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL4152604 0.82 CCNB2 (0.57) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL28883032 0.82 TSHR (0.55) HSD17B10TSHRKDM4EALDH1A1MEN1
SCHEMBL4154886 0.82 BAZ2B (0.68) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL16433468 0.81 CCNB2 (0.54) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL409607 0.81 CDK1 (0.54) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL12131885 0.80 CCNB2 (0.46) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL12127706 0.80 BAZ2B (0.59) CCNB2CDK1CCNB1GSK3BCCNB3

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-1250324-A1 BIARYL COMPOUNDS, THEIR PREPARATION AND THEIR USE IN THERAPY RiboTargets Limited (GB) 2002-10-23 EP disclosed
WO-2001055111-A1 BIARYL COMPOUNDS, THEIR PREPARATION AND THEIR USE IN THERAPY RIBOTARGETS LIMITED (GB) 2001-08-02 WO disclosed