SCHEMBL5789102

SCHEMBL5789102

NC(=O)c1cccc(-n2cccc2)c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MITF O75030 1/20 0.39
TSHR P16473 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 2/20 0.37
CYP3A4 P08684 1/20 0.37
BLM P54132 1/20 0.37
PMP22 Q01453 1/20 0.37
TDP1 Q9NUW8 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL6571203 0.81 MAPT (0.54) POLBALDH1A1LMNAL3MBTL1GAA
SCHEMBL5792626 0.81 TSHR (0.48) POLBALDH1A1LMNAL3MBTL1GAA
SCHEMBL3788027 0.77 MAPT (0.48) POLBALDH1A1LMNAGAAMAPT
SCHEMBL1625522 0.77 KMT2A (0.51) POLBALDH1A1LMNAL3MBTL1GAA
SCHEMBL8773146 0.76 TSHR (0.51) POLBALDH1A1L3MBTL1GAAMAPT
SCHEMBL607557 0.76 ALDH1A1 (0.65) POLBALDH1A1LMNAL3MBTL1GAA
SCHEMBL31729425 0.76 ALDH1A1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2MITF
SCHEMBL3435480 0.76 MAPT (0.48) POLBALDH1A1LMNAGAAMAPT
SCHEMBL28086239 0.76 ALDH1A1 (0.52) ALDH1A1LMNAMAPTSMN1; SMN2MITF
SCHEMBL30682787 0.75 TSHR (0.43) POLBALDH1A1LMNAL3MBTL1MAPT

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
EP-1646610-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SmithKline Beecham Corporation (US) 2006-04-19 EP disclosed
WO-2005005386-A1 TETRAHYDROCARBAZOLE DERIVATIVES AND THEIR PHARMACEUTICAL USE SMITHKLINE BEECHAM CORPORATION (US) 2005-01-20 WO disclosed