SCHEMBL10145700

SCHEMBL10145700

CC(=O)CCc1ccc(N(C)c2cc3c(cc2Cl)C2(OC(=O)c4ccccc42)c2ccc(C)cc2O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
LMNA P02545 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
FTO Q9C0B1 6/20 0.42
TDP1 Q9NUW8 3/20 0.42
PRMT1 Q99873 2/20 0.42
CYP2C19 P33261 2/20 0.42
HPGD P15428 2/20 0.42
RECQL P46063 1/20 0.42
BLM P54132 1/20 0.42
SMAD3 P84022 1/20 0.42
ACE2 Q9BYF1 1/20 0.42
CYP3A4 P08684 3/20 0.41
GSTP1 P09211 1/20 0.41
NPSR1 Q6W5P4 3/20 0.36
POLB P06746 2/20 0.36

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
SCHEMBL10145706 0.93 MAPT (0.43) MAPTLMNAMEN1KMT2AHTT
SCHEMBL10145698 0.91 MAPT (0.43) MAPTLMNAMEN1KMT2AHTT
SCHEMBL10145602 0.84 MAPT (0.43) MAPTLMNAMEN1KMT2AHTT
SCHEMBL13648698 0.84 MAPT (0.43) MAPTLMNAMEN1KMT2AHTT
SCHEMBL10145608 0.83 MAPT (0.49) MAPTLMNAMEN1KMT2AHTT
SCHEMBL10145537 0.83 MAPT (0.41) MAPTLMNAMEN1KMT2AHTT
SCHEMBL10145610 0.82 MEN1 (0.46) MAPTLMNAMEN1KMT2AHTT
SCHEMBL10145589 0.80 CYP3A4 (0.40) MAPTLMNAMEN1KMT2AHTT
SCHEMBL10145597 0.79 CYP3A4 (0.39) MAPTLMNAMEN1KMT2AHTT
SCHEMBL10145477 0.77 MAPT (0.52) MAPTLMNAMEN1KMT2AHTT

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-8114904-B2 Luminescence quenchers and fluorogenic probes for detection of reactive species Versitech Limited & Morningside Ventures Limited (CN) 2012-02-14 US disclosed