SCHEMBL3406897

SCHEMBL3406897

CC(=O)c1ccccc1-n1cc(O)c2c(Cl)c(Br)ccc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.33
EGFR P00533 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MAPK1 P28482 2/20 0.32
MAPT P10636 2/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 3/20 0.31
APEX1 P27695 1/20 0.31
USP2 O75604 1/20 0.31
TP53 P04637 1/20 0.31
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 2/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL3405230 0.87 MYC (0.42) ALDH1A1MAPTGAASMN1; SMN2KMT2A
SCHEMBL3406875 0.85 ALDH1A1 (0.41) ALDH1A1HPGDTDP1L3MBTL1MAPK1
SCHEMBL3407747 0.81 CNR2 (0.39) EGFRALDH1A1HPGDMAPTKMT2A
SCHEMBL3408784 0.78 LMNA (0.41) ALDH1A1HPGDL3MBTL1MAPK1MAPT
SCHEMBL3282414 0.74 NOTUM (0.41) ALDH1A1HPGDMAPTGAAKMT2A
SCHEMBL3405019 0.73 POLB (0.42) EGFRALDH1A1TDP1L3MBTL1MAPT
SCHEMBL3404051 0.72 EGFR (0.48) EGFRHPGDMAPTGAAKMT2A
SCHEMBL155033 0.71 SLC28A3 (0.34)
SCHEMBL11213858 0.69
SCHEMBL2804217 0.69 HTR2A (0.34) ALDH1A1HPGDMAPTGAAKMT2A

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
EP-2427431-B1 NOVEL INDICATOR PLATFORM BIOSYNTH AG (CH) 2013-05-01 EP disclosed
EP-2256103-A1 Novel indicator platform Biosynth AG (CH) 2010-12-01 EP disclosed