SCHEMBL28034136

SCHEMBL28034136

CCCOc1cc2ccccc2c(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL3370313 0.87 ALDH1A1 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4265929 0.82 BTK (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13730729 0.81 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL1536283 0.78 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL30861701 0.78 KDM4E (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15668635 0.76 MAPT (0.43) MAPTALDH1A1ATMMEN1KMT2A
SCHEMBL7391588 0.76 ALDH1A1 (0.53) MAPTLMNAALDH1A1MEN1KMT2A
SCHEMBL4270796 0.74 LMNA (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL15646943 0.73 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27542075 0.72 KCNH2 (0.50) MAPTTLR8CNR1CNR2MEN1

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