SCHEMBL17847441

SCHEMBL17847441

C=C(CCOC(=O)Nc1ccccc1Sc1cccc(Sc2ccccc2)c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.46
KMT2A Q03164 6/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
BLM P54132 1/20 0.46
L3MBTL1 Q9Y468 10/20 0.45
LMNA P02545 4/20 0.45
HPGD P15428 1/20 0.45
ATM Q13315 1/20 0.45
MAPT P10636 1/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL17847447 0.94 KMT2A (0.51) TDP1KMT2AALDH1A1MEN1BLM
SCHEMBL17847510 0.94 TDP1 (0.45) TDP1KMT2AALDH1A1MEN1BLM
SCHEMBL19712972 0.83 TDP1 (0.46) TDP1KMT2AALDH1A1MEN1BLM
SCHEMBL19712963 0.83 TDP1 (0.47) TDP1KMT2AALDH1A1MEN1BLM
SCHEMBL17847508 0.80 ALDH1A1 (0.45) TDP1KMT2AALDH1A1MEN1BLM
SCHEMBL22318930 0.80 L3MBTL1 (0.48) TDP1KMT2AALDH1A1MEN1BLM
SCHEMBL17847513 0.80 ALDH1A1 (0.45) TDP1KMT2AALDH1A1MEN1BLM
SCHEMBL19712980 0.77 ALDH1A1 (0.50) TDP1KMT2AALDH1A1MEN1BLM
SCHEMBL19712990 0.76 ALDH1A1 (0.52) TDP1KMT2AALDH1A1MEN1BLM
SCHEMBL28173861 0.76 TDP1 (0.54) TDP1KMT2AALDH1A1MEN1BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3233791-B1 MOISTURE STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2020-08-12 EP disclosed
EP-3233791-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA Covestro Deutschland AG (DE) 2017-10-25 EP disclosed
WO-2016096641-A1 MOISTURE-STABLE HOLOGRAPHIC MEDIA COVESTRO DEUTSCHLAND AG (DE) 2016-06-23 WO disclosed