SCHEMBL790423

SCHEMBL790423

COc1nc(C)c(Br)cc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PIK3CA P42336 2/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
MAPT P10636 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CASP1 P29466 1/20 0.36
NQO2 P16083 4/20 0.35
AURKA O14965 1/20 0.35
TTK P33981 1/20 0.35
AURKB Q96GD4 1/20 0.35
INCENP Q9NQS7 1/20 0.35
MBOAT4 Q96T53 1/20 0.33
TERT O14746 1/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL11993969 0.81 PIK3CA (0.41) POLBL3MBTL1PIK3CAALDH1A1LMNA
SCHEMBL31341824 0.80 PIK3CA (0.37) POLBL3MBTL1PIK3CAALDH1A1LMNA
SCHEMBL22833476 0.80 PIK3CA (0.37) POLBL3MBTL1PIK3CAALDH1A1LMNA
SCHEMBL38665916 0.79 PIK3CA (0.41) POLBPIK3CAALDH1A1MAPTCASP1
SCHEMBL215544 0.79 PIK3CA (0.41) POLBPIK3CAALDH1A1MAPTCASP1
SCHEMBL24565639 0.78 POLB (0.44) POLBL3MBTL1PIK3CAALDH1A1MAPT
SCHEMBL19483221 0.78 MBOAT4 (0.34) POLBL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL13299148 0.76 LMNA (0.42) POLBL3MBTL1ALDH1A1LMNAHPGD
SCHEMBL33961 0.75 MAPT (0.44) POLBL3MBTL1PIK3CAALDH1A1MAPT
SCHEMBL4864975 0.75 MAPT (0.44) POLBL3MBTL1PIK3CAALDH1A1MAPT

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
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed