SCHEMBL6951963

SCHEMBL6951963

CCc1ccccc1N/C=C1\C(=O)N(c2ccc(S(=O)(=O)N3CCOCC3)cc2)N=C1C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 3/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL6951965 1.00 KDM4E (0.43) KDM4EALDH1A1MAPK1KAT8KMT2A
SCHEMBL8425230 0.96 KDM4E (0.40) KDM4EALDH1A1MAPK1KAT8KMT2A
SCHEMBL8009024 0.96 KDM4E (0.40) KDM4EALDH1A1MAPK1KAT8KMT2A
SCHEMBL6945950 0.90 KMT2A (0.43) ALDH1A1KAT8KMT2ASMN1; SMN2POLB
SCHEMBL6945936 0.90 KMT2A (0.43) ALDH1A1KAT8KMT2ASMN1; SMN2POLB
SCHEMBL8026222 0.89 LMNA (0.45) ALDH1A1MAPK1KAT8KMT2AGAA
SCHEMBL8026223 0.89 LMNA (0.45) ALDH1A1MAPK1KAT8KMT2AGAA
SCHEMBL6947196 0.88 KDM4E (0.45) KDM4EALDH1A1MAPK1KMT2AGAA
SCHEMBL6947197 0.88 KDM4E (0.45) KDM4EALDH1A1MAPK1KMT2AGAA
SCHEMBL8015723 0.86 KMT2A (0.41) ALDH1A1KAT8KMT2ASMN1; SMN2POLB

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 4 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 disclosed
EP-0930881-A1 PYRAZOLINONES TO TREAT DISTURBANCES OF POTENCY MERCK PATENT GmbH (DE) 1999-07-28 EP 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