SCHEMBL6846910

SCHEMBL6846910

CCCN(c1ccccc1)c1ccc([N+](=O)[O-])cc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.62
HTT P42858 1/20 0.62
ALDH1A1 P00352 6/20 0.59
MAPT P10636 5/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
GAA P10253 1/20 0.46
CTSV O60911 1/20 0.46
CTSL P07711 1/20 0.46
HCAR3 P49019 2/20 0.44
CRHBP P24387 1/20 0.43
ATM Q13315 1/20 0.43
CRHR2 Q13324 1/20 0.43
TLR9 Q9NR96 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43

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
SCHEMBL11099515 0.80 ALDH1A1 (0.71) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL15640142 0.79 LTB4R2 (0.46) TP53HTTALDH1A1KMT2AMEN1
SCHEMBL27581466 0.79 TP53 (0.61) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL4897611 0.78 TP53 (0.47) TP53HTTALDH1A1GAATSHR
SCHEMBL17064327 0.77 ALDH1A1 (0.56) HTTALDH1A1MAPTKMT2AMEN1
SCHEMBL3149715 0.77 HTT (1.00) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL3885646 0.75 ALDH1A1 (1.00) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL11577825 0.75 ALDH1A1 (0.73) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL11576314 0.75 ALDH1A1 (0.73) TP53HTTALDH1A1MAPTKMT2A
SCHEMBL11107017 0.74 ALDH1A1 (0.68) TP53HTTALDH1A1MAPTKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8871463-B2 Method for screening a glutamate release inhibitor in an astrocyte KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-10-28 US disclosed
US-20040142891-A1 Genes involved in immune related responses observed with asthma UNIVERSITEIT UTRECHT (NL) 2004-07-22 US disclosed