SCHEMBL9781027

SCHEMBL9781027

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GABRP O00591 1/20 0.45
GABRD O14764 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRB1 P18505 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
GABRA2 P47869 1/20 0.45
GABRB2 P47870 1/20 0.45
GABRA4 P48169 1/20 0.45
GABRE P78334 1/20 0.45
GABRA6 Q16445 1/20 0.45
GABRG1 Q8N1C3 1/20 0.45
GABRG3 Q99928 1/20 0.45
GABRQ Q9UN88 1/20 0.45
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL6534893 0.92 MEN1 (0.50) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL27265024 0.92 MEN1 (0.50) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL29074022 0.92 MEN1 (0.50) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL8780461 0.92 MEN1 (0.50) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL1049187 0.92 MEN1 (0.50) MEN1KMT2ANR1I2LMNACHRM2
SCHEMBL28409459 0.89 KMT2A (0.42) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL28927012 0.89 GABRP (0.41) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL2972655 0.88 LMNA (0.50) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL2488526 0.88 MEN1 (0.41) MEN1KMT2AGABRPGABRDGABRA1
SCHEMBL28273750 0.87 ALDH1A1 (0.41) MEN1KMT2AGABRPGABRDGABRA1

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-5049280-A 2,3-dihydroxyterephthalamides as highly effective metal ion sequestering compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1991-09-17 US disclosed