SCHEMBL28033593

SCHEMBL28033593

CC(C)Oc1cc2c(F)cccc2cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.48
GABRG2 P18507 3/20 0.48
GABRB3 P28472 3/20 0.48
GABRA5 P31644 3/20 0.48
GABRA3 P34903 3/20 0.48
GABRP O00591 2/20 0.48
GABRD O14764 2/20 0.48
GABRB1 P18505 2/20 0.48
GABRA2 P47869 2/20 0.48
GABRB2 P47870 2/20 0.48
GABRA4 P48169 2/20 0.48
GABRE P78334 2/20 0.48
GABRA6 Q16445 2/20 0.48
GABRG1 Q8N1C3 2/20 0.48
GABRG3 Q99928 2/20 0.48
GABRQ Q9UN88 2/20 0.48
MAPT P10636 1/20 0.41
CCNT1 O60563 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 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
SCHEMBL28034128 0.77 GABRP (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21965360 0.76 GABRP (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL14970140 0.73 CYP1A2 (0.53) MAPTNPC1
SCHEMBL559707 0.69 PDPK1 (0.53) MAPTEGFRNPC1ALOX5APFEN1
SCHEMBL11813543 0.69 MAPT (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL19297884 0.69 GABRP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10272465 0.69 MAPT (0.43) MAPTCCNT1CCNA2CDK2CCND3
SCHEMBL30480784 0.69 KDM4E (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10220863 0.69 MAPT (0.43) MAPTCCNA2CDK2CDK5CDK5R1
SCHEMBL24587370 0.68 GABRP (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104918941-A Hepatitis c virus inhibitors BRISTOL MYERS SQUIBB CO 2015-09-16 CN disclosed