SCHEMBL6948075

SCHEMBL6948075

CCc1ccccc1N/C=C1/C(=O)N(c2ccc(NC(C)=O)cc2)N=C1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT8 Q9H7Z6 8/20 0.43
KMT2A Q03164 6/20 0.43
MEN1 O00255 4/20 0.43
SCN2A Q99250 1/20 0.42
MAPT P10636 7/20 0.41
ALDH1A1 P00352 5/20 0.41
GAA P10253 2/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
CASP1 P29466 1/20 0.40
RAB9A P51151 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPK1 P28482 4/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
EP300 Q09472 3/20 0.39
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL6948078 1.00 KAT8 (0.43) KAT8KMT2AMEN1SCN2AMAPT
SCHEMBL8425597 0.95 KAT8 (0.40) KAT8KMT2AMEN1SCN2AMAPT
SCHEMBL8425593 0.95 KAT8 (0.40) KAT8KMT2AMEN1SCN2AMAPT
SCHEMBL6947878 0.89 KMT2A (0.41) KAT8KMT2AMEN1MAPTALDH1A1
SCHEMBL6952715 0.89 KMT2A (0.41) KAT8KMT2AMEN1MAPTALDH1A1
SCHEMBL8425600 0.88 MEN1 (0.43) KAT8KMT2AMEN1MAPTALDH1A1
SCHEMBL8008959 0.86 KAT8 (0.60) KAT8KMT2AMEN1MAPTALDH1A1
SCHEMBL6949462 0.86 KAT8 (0.60) KAT8KMT2AMEN1MAPTALDH1A1
SCHEMBL6952770 0.86 MAPT (0.41) KAT8KMT2AMEN1SCN2AMAPT
SCHEMBL6952774 0.86 MAPT (0.41) KAT8KMT2AMEN1SCN2AMAPT

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-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-0743304-A1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GmbH (DE) 1996-11-20 EP disclosed