SCHEMBL5763199

SCHEMBL5763199

CC(C)(C)OC(=O)C1CNc2cc(N=C=S)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRA6 Q16445 1/20 0.37
CASP1 P29466 1/20 0.36
EPHX2 P34913 1/20 0.34
RAD1 O60671 1/20 0.33
P2RY6 Q15077 1/20 0.33
PNMT P11086 1/20 0.31
RAD51 Q06609 2/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LTA P01374 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL6185274 0.81 HSD17B10 (0.36) RAD1P2RY6PNMTRAD51KDM4E
SCHEMBL7357650 0.79 EPHX2 (0.37) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL5576688 0.75 EPHX2 (0.49) EPHX2ALDH1A1CYP3A4
SCHEMBL1161006 0.72 EPHX2 (0.38) EPHX2ALDH1A1MAPTHPGD
SCHEMBL3986151 0.71 EPHX2 (0.37) EPHX2TDP1
SCHEMBL4586631 0.71 EPHX2 (0.37) EPHX2
SCHEMBL27824398 0.69 EPHX2 (0.36) EPHX2HSD17B10
SCHEMBL7364773 0.69 EPHX2 (0.33) EPHX2
SCHEMBL27824391 0.69 KDM4E (0.34) CASP1EPHX2KDM4EALDH1A1MAPT
SCHEMBL19586307 0.69 CA12 (0.42) EPHX2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1675584-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2006-07-05 EP disclosed
WO-2005032548-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS INHIBITORS OF RAF KINASE CHIRON CORPORATION (US) 2005-04-14 WO disclosed
EP-1499311-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS Chiron Corporation (US) 2005-01-26 EP disclosed
WO-2003082272-A1 SUBSTITUTED BENZAZOLES AND USE THEREOF AS RAF KINASE INHIBITORS CHIRON CORPORATION (US) 2003-10-09 WO disclosed