SCHEMBL6952099

SCHEMBL6952099

CCOC(=O)CC1=NN(c2ccc(NC(=O)OCC)cc2)C(=O)/C1=C/Nc1ccccc1CC

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPK1 P28482 1/20 0.50
HPGD P15428 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
KDM4E B2RXH2 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 2/20 0.41
RAB9A P51151 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
NLRP3 Q96P20 4/20 0.38
TSHR P16473 1/20 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
SCHEMBL6952104 1.00 MAPT (0.50) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL6946840 0.96 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL6946842 0.96 MEN1 (0.49) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL6952731 0.93 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL6952727 0.93 ALDH1A1 (0.44) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL6951587 0.93 MAPT (0.50) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL6951586 0.93 MAPT (0.50) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8427440 0.92 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8427438 0.92 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL6948635 0.90 MAPT (0.47) MAPTMEN1KMT2AALDH1A1MAPK1

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-0743304-B1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GMBH (DE) 2003-03-26 EP claimed
US-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed