SCHEMBL14456608

SCHEMBL14456608

CC1(C)CCC2=C(O1)c1ccc(N)cc1C(=O)C2=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 9/20 0.71
▸ ALDH1A1 P00352 4/20 0.68
▸ RAB9A P51151 4/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ LMNA P02545 3/20 0.68
▸ IDO1 P14902 2/20 0.68
▸ MEN1 O00255 2/20 0.68
▸ TDP2 O95551 2/20 0.68
▸ BLM P54132 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ TP53 P04637 2/20 0.68
▸ CYP3A4 P08684 2/20 0.68
▸ MAPK1 P28482 2/20 0.68
▸ TDP1 Q9NUW8 2/20 0.68
▸ MAPT P10636 2/20 0.68
▸ KDM4E B2RXH2 1/20 0.68
▸ CES2 O00748 1/20 0.68
▸ GMNN O75496 1/20 0.68
▸ CYP1A2 P05177 1/20 0.68

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
SCHEMBL25704071 0.94 MALT1 (0.71) MALT1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL14439372 0.83 MALT1 (0.90) MALT1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL14439378 0.81 MALT1 (1.00) MALT1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5940394 0.81 MALT1 (0.74) MALT1ALDH1A1RAB9ASMN1; SMN2LMNA
Lapachone SCHEMBL107042 0.81 MALT1 (1.00) MALT1ALDH1A1RAB9ASMN1; SMN2LMNA
Lapachone SCHEMBL29351050 0.81 MALT1 (1.00) MALT1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5940435 0.80 MALT1 (0.75) MALT1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL14439374 0.78 MALT1 (0.71) MALT1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL5940140 0.78 MALT1 (0.71) MALT1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL8186444 0.71 MALT1 (0.76) MALT1ALDH1A1RAB9ASMN1; SMN2LMNA

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
US-7253207-B2 Quinones as disease therapies CELLGATE, INC. (US) 2007-08-07 — — US disclosed
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