SCHEMBL10916079

SCHEMBL10916079

CC1(C)CCC2=C(O1)c1ccccc1/C(=N\NC(=O)C[N+](C)(C)C)C2=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 9/20 0.55
▸ CYP1A2 P05177 6/20 0.55
▸ CYP2C19 P33261 5/20 0.55
▸ CYP3A4 P08684 4/20 0.55
▸ MAPT P10636 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ CYP2C9 P11712 3/20 0.55
▸ RAB9A P51151 3/20 0.55
▸ IDO1 P14902 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ NFKB1 P19838 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ ALOX15 P16050 2/20 0.55
▸ HIF1A Q16665 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ CES2 O00748 1/20 0.55
▸ GMNN O75496 1/20 0.55
▸ TDP2 O95551 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 1/20 0.55

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
SCHEMBL10916084 1.00 MALT1 (0.55) MALT1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL10914362 0.85 MALT1 (0.55) MALT1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL10914365 0.85 MALT1 (0.55) MALT1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL10049524 0.85 MALT1 (0.62) MALT1CYP1A2CYP2C19CYP3A4MAPT
Hydrochloric Acid SCHEMBL10951308 0.84 MALT1 (0.54) MALT1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL10915342 0.84 MALT1 (0.61) MALT1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL10915343 0.84 MALT1 (0.61) MALT1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL10916618 0.83 MALT1 (0.52) MALT1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL10916047 0.81 MALT1 (0.60) MALT1CYP1A2CYP2C19CYP3A4MAPT
SCHEMBL10916049 0.81 MALT1 (0.60) MALT1CYP1A2CYP2C19CYP3A4MAPT

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
EP-0183649-A1 Nitrogen derivatives from oxo compounds CIBA-GEIGY AG (CH) 1986-06-04 — — EP claimed
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