SCHEMBL6347331

SCHEMBL6347331

CCc1ccc(N)c(Cc2ccccc2O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA5 P11021 1/20 0.52
KEAP1 Q14145 1/20 0.47
TRPA1 O75762 1/20 0.43
SLC6A2 P23975 2/20 0.43
SLC6A4 P31645 2/20 0.43
BACE1 P56817 1/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6338209 0.85 SKP2 (0.50) HSPA5KEAP1BACE1RAB9AATP4A
SCHEMBL6345841 0.83 GABRA1 (0.57) HSPA5KEAP1TRPA1SLC6A2KDM4E
SCHEMBL6338698 0.80 HSPA5 (0.55) HSPA5KEAP1SLC6A2SLC6A4MAPT
SCHEMBL12110846 0.80 HSPA5 (0.59) HSPA5KEAP1KDM4EGAAMAPT
SCHEMBL1539188 0.77 KEAP1 (0.70) HSPA5KEAP1TRPA1MEN1KMT2A
SCHEMBL6339844 0.77 ALOX15 (0.58) HSPA5KEAP1MAPTMEN1POLB
SCHEMBL1470800 0.77 HSPA5 (0.73) HSPA5KEAP1KDM4EALOX15HSD17B10
SCHEMBL51319 0.77 TRPA1 (0.64) HSPA5TRPA1BACE1KDM4EMAPT
SCHEMBL13711821 0.76 KEAP1 (0.58) HSPA5KEAP1TRPA1BACE1MAPT
SCHEMBL3640977 0.75 TRPA1 (0.48) HSPA5KEAP1TRPA1BACE1KDM4E

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-6960553-B2 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. (JP) 2005-11-01 US disclosed
US-20030186810-A1 Heat-sensitive recording material MITSUBISHI PAPER MILLS LTD. 2003-10-02 US disclosed