SCHEMBL28062452

SCHEMBL28062452

CC(C)Oc1cc2ccccc2c(F)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRP O00591 1/20 0.42
GABRD O14764 1/20 0.42
GABRB1 P18505 1/20 0.42
GABRA2 P47869 1/20 0.42
GABRB2 P47870 1/20 0.42
GABRA4 P48169 1/20 0.42
GABRE P78334 1/20 0.42
GABRA6 Q16445 1/20 0.42
GABRG1 Q8N1C3 1/20 0.42
GABRG3 Q99928 1/20 0.42
GABRQ Q9UN88 1/20 0.42
MAPT P10636 5/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40

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
SCHEMBL4267384 0.82 BTK (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL28033501 0.81 KDM4E (0.52) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15646943 0.81 GABRP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13729879 0.77 MAPT (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9692042 0.73 KDM4E (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL13409319 0.72 BTK (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10553536 0.71 TLR8 (0.44) MAPTCYP1A2CYP2C9CYP2C19POLB
SCHEMBL27940119 0.71 CYP1A2 (0.45) MAPTCYP1A2KDM4ETSHRL3MBTL1
SCHEMBL21965360 0.70 GABRP (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL15483502 0.70 L3MBTL1 (0.56) MAPTCYP1A2CYP2C9CYP2C19MEN1

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-103797024-B Hepatitis c virus inhibitors BRISTOL-MYERS SQUIBB CO. (US) 2016-06-01 CN disclosed