SCHEMBL6946129

SCHEMBL6946129

CCCC1=NN(c2ccc(S(=O)(=O)O)cc2)C(=O)/C1=C/Nc1ccccc1CC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 3/20 0.44
KMT2A Q03164 8/20 0.42
ALDH1A1 P00352 7/20 0.42
MEN1 O00255 6/20 0.42
MAPT P10636 6/20 0.42
POLB P06746 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPK1 P28482 2/20 0.38
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
TDP2 O95551 1/20 0.36
LMNA P02545 3/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
TYMS P04818 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
SCHEMBL6946132 1.00 KAT8 (0.44) KAT8KMT2AALDH1A1MEN1MAPT
SCHEMBL8425574 0.95 KAT8 (0.41) KAT8KMT2AALDH1A1MEN1MAPT
SCHEMBL8425576 0.95 KAT8 (0.41) KAT8KMT2AALDH1A1MEN1MAPT
SCHEMBL6946010 0.90 ALDH1A1 (0.37) KAT8KMT2AALDH1A1MEN1MAPT
SCHEMBL6946007 0.90 ALDH1A1 (0.37) KAT8KMT2AALDH1A1MEN1MAPT
SCHEMBL8425580 0.87 KMT2A (0.40) KAT8KMT2AALDH1A1MEN1MAPT
SCHEMBL6951671 0.86 KMT2A (0.43) KAT8KMT2AALDH1A1MEN1MAPT
SCHEMBL6951666 0.86 KMT2A (0.43) KAT8KMT2AALDH1A1MEN1MAPT
SCHEMBL8423684 0.86 MEN1 (0.34) KAT8KMT2AALDH1A1MEN1MAPT
SCHEMBL8423682 0.86 MEN1 (0.34) KAT8KMT2AALDH1A1MEN1MAPT

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 9 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-A1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GmbH (DE) 1996-11-20 EP 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
EP-0930881-A1 PYRAZOLINONES TO TREAT DISTURBANCES OF POTENCY MERCK PATENT GmbH (DE) 1999-07-28 EP disclosed
US-5869516-A 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1999-02-09 US disclosed
WO-1998016224-A1 PYRAZOLINONES TO TREAT DISTURBANCES OF POTENCY MERCK PATENT GMBH (DE) 1998-04-23 WO disclosed
EP-0743304-A1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed