SCHEMBL28026181

SCHEMBL28026181

CCCCc1c(C#N)ccc(C(N)=O)c1CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 1/20 0.36
GABRQ Q9UN88 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
SCHEMBL9781027 0.85 MEN1 (0.45) ALDH1A1HPGDGABRPGABRDGABRA1
SCHEMBL21496494 0.82 CYP3A4 (0.43) ALDH1A1HPGDTSHRMEN1NR1I2
SCHEMBL29074022 0.79 MEN1 (0.50) ALDH1A1HPGDMEN1NR1I2LMNA
SCHEMBL27265024 0.79 MEN1 (0.50) ALDH1A1HPGDMEN1NR1I2LMNA
SCHEMBL1049187 0.79 MEN1 (0.50) ALDH1A1HPGDMEN1NR1I2LMNA
SCHEMBL8780461 0.79 MEN1 (0.50) ALDH1A1HPGDMEN1NR1I2LMNA
SCHEMBL6534893 0.79 MEN1 (0.50) ALDH1A1HPGDMEN1NR1I2LMNA
SCHEMBL28409459 0.76 KMT2A (0.42) ALDH1A1HPGDGABRPGABRDGABRA1
SCHEMBL6137335 0.76 SKP2 (0.43) ALDH1A1HPGDTSHRMEN1LMNA
SCHEMBL28927012 0.76 GABRP (0.41) ALDH1A1HPGDGABRPGABRDGABRA1

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
CN-103339536-B Pyrrolopyrrole dione pigment composition for color filter, coloring composition for color filter, and color filter TOYO INK SC HOLDINGS CO LTD 2015-07-22 CN disclosed