SCHEMBL11670538

SCHEMBL11670538

CCCCN(CC(OC=O)Oc1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.39
AR P10275 1/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
LMNA P02545 2/20 0.34
GAA P10253 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
GFER P55789 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADRB2 P07550 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL11671708 0.87 TSHR (0.39) CNR2MAPTMEN1KMT2AALDH1A1
SCHEMBL11672899 0.86 ATM (0.32) MEN1KMT2ALMNAGAAALDH1A1
SCHEMBL11211223 0.78 CA12 (0.35) MAPTMEN1KMT2ALMNAGAA
SCHEMBL11676001 0.77 CNR2 (0.42) CNR2MAPTMEN1KMT2ALMNA
SCHEMBL11670849 0.77 ALOX15 (0.43) MAPTLMNAGAAALDH1A1TDP1
SCHEMBL11671881 0.77 MEN1 (0.38) MAPTMEN1KMT2ALMNAGAA
SCHEMBL11671286 0.76 GHSR (0.38) MAPTKMT2AGAAALDH1A1TDP1
SCHEMBL11685337 0.74 L3MBTL1 (0.36) MAPTMEN1KMT2ALMNAGAA
SCHEMBL10990457 0.73 TSHR (0.33) MAPTKMT2AGAAALDH1A1HTT
SCHEMBL11215767 0.73 EGFR (0.39) CNR2MAPTMEN1KMT2ALMNA

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-4039539-A 1,2,4-Triazole-azo-aniline cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-08-02 US disclosed