SCHEMBL10916618

SCHEMBL10916618

CC1(C)CCC2=C(O1)c1ccccc1/C(=N\NC(=O)C[n+]1ccccc1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 9/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ IDO1 P14902 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ CES2 O00748 1/20 0.52
▸ GMNN O75496 1/20 0.52
▸ TDP2 O95551 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ GLA P06280 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ HSPD1 P10809 1/20 0.52
▸ THRB P10828 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ NQO1 P15559 1/20 0.52
▸ ALOX15 P16050 1/20 0.52

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 0.83 MALT1 (0.55) MALT1ALDH1A1IDO1KDM4EMEN1
SCHEMBL10914365 0.83 MALT1 (0.55) MALT1ALDH1A1IDO1KDM4EMEN1
SCHEMBL10914362 0.83 MALT1 (0.55) MALT1ALDH1A1IDO1KDM4EMEN1
SCHEMBL10916079 0.83 MALT1 (0.55) MALT1ALDH1A1IDO1KDM4EMEN1
SCHEMBL10049524 0.82 MALT1 (0.62) MALT1ALDH1A1IDO1KDM4EMEN1
Hydrochloric Acid SCHEMBL10951308 0.82 MALT1 (0.54) MALT1ALDH1A1IDO1KDM4EMEN1
SCHEMBL10915343 0.81 MALT1 (0.61) MALT1ALDH1A1IDO1KDM4EMEN1
SCHEMBL10915342 0.81 MALT1 (0.61) MALT1ALDH1A1IDO1KDM4EMEN1
SCHEMBL10916047 0.78 MALT1 (0.60) MALT1ALDH1A1IDO1KDM4EMEN1
SCHEMBL10916049 0.78 MALT1 (0.60) MALT1ALDH1A1IDO1KDM4EMEN1

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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