SCHEMBL3937802

SCHEMBL3937802

CC(=O)Oc1ccc(Cl)cc1Sc1cccc2cccnc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
KMT2A Q03164 5/20 0.54
MEN1 O00255 4/20 0.54
RHEB Q15382 2/20 0.52
MAPT P10636 6/20 0.49
LMNA P02545 4/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
PSMD14 O00487 2/20 0.49
AGTR1 P30556 1/20 0.49
OPRK1 P41145 1/20 0.49
HKDC1 Q2TB90 1/20 0.49
KDM4E B2RXH2 7/20 0.49
TDP1 Q9NUW8 3/20 0.49
CYP3A4 P08684 1/20 0.49
ALOX12 P18054 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 8/20 0.43
HSD17B10 Q99714 4/20 0.43
HTT P42858 3/20 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
SCHEMBL1333699 0.83 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1RHEBMAPT
SCHEMBL31006550 0.81 HPGD (0.46) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL250301 0.74 LMNA (0.65) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL3936920 0.73 RAB9A (0.40) ALDH1A1KMT2AMEN1MAPTLMNA
Butanedione SCHEMBL5530736 0.72 LMNA (0.63) ALDH1A1KMT2AMEN1MAPTLMNA
Hydrochloric Acid SCHEMBL2563239 0.72 LMNA (0.63) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL13021655 0.70 KDM4E (0.55) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL19733333 0.69 LMNA (0.51) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL11759226 0.69 RHEB (0.45) ALDH1A1KMT2AMEN1RHEBMAPT
SCHEMBL14173275 0.69 KMT2A (0.42) ALDH1A1KMT2AMEN1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP claimed
JP-2007502806-A 2007-02-15 JP claimed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP claimed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO claimed
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO disclosed