SCHEMBL6949879

SCHEMBL6949879

CCCC1=NN(c2cccc(NS(C)(=O)=O)c2)C(=O)C1=CNc1ccccc1CC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.35
KMT2A Q03164 6/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
MAPT P10636 3/20 0.35
THRB P10828 2/20 0.35
MAPK1 P28482 2/20 0.35
SAE1 Q9UBE0 1/20 0.35
UBA2 Q9UBT2 1/20 0.35
POLB P06746 2/20 0.35
HTT P42858 1/20 0.35
PTGS1 P23219 1/20 0.34
TDP2 O95551 2/20 0.34
BRD4 O60885 3/20 0.33
PLA2G7 Q13093 2/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
USP2 O75604 1/20 0.33

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
SCHEMBL6949877 1.00 MEN1 (0.35) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8009132 0.89 PLA2G7 (0.35) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL8009130 0.89 PLA2G7 (0.35) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6950538 0.88 ALDH1A1 (0.37) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6950541 0.88 ALDH1A1 (0.37) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6947861 0.88 KMT2A (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6947858 0.88 KMT2A (0.40) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6950142 0.86 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6950139 0.86 KMT2A (0.41) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL6942638 0.85 ALDH1A1 (0.47) MEN1KMT2AALDH1A1KDM4EMAPT

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 6 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-6034099-A Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones CELL PATHWAYS, INC. (US) 2000-03-07 US claimed
EP-0743304-B1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GMBH (DE) 2003-03-26 EP disclosed
US-6034099-A Method for inhibiting neoplastic lesions by administering 4-(arylmethylene)- 2, 3- dihydro-pyrazol-3-ones CELL PATHWAYS, INC. (US) 2000-03-07 US disclosed
US-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed
EP-0743304-A1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed