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SCHEMBL6947878

SCHEMBL6947878

CCc1ccccc1NC=C1C(=O)N(c2cccc(NC(C)=O)c2)N=C1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.41
▸ MAPT P10636 8/20 0.41
▸ MEN1 O00255 7/20 0.41
▸ MAPK1 P28482 5/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ MDM2 Q00987 1/20 0.41
▸ GPR55 Q9Y2T6 1/20 0.41
▸ KAT8 Q9H7Z6 2/20 0.41
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ GAA P10253 2/20 0.40
▸ KCNK3 O14649 1/20 0.39
▸ KCNK9 Q9NPC2 1/20 0.39
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 2/20 0.37

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
SCHEMBL6952715 1.00 KMT2A (0.41) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL8424088 0.95 KMT2A (0.38) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL8424092 0.95 KMT2A (0.38) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL7073258 0.94 KMT2A (0.45) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL7073259 0.94 KMT2A (0.45) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL6951611 0.90 KMT2A (0.40) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL6951606 0.90 KMT2A (0.40) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL6948078 0.89 KAT8 (0.43) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL6948075 0.89 KAT8 (0.43) KMT2AMAPTMEN1MAPK1ALDH1A1
SCHEMBL8424096 0.89 MAPT (0.43) KMT2AMAPTMEN1MAPK1ALDH1A1

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 13 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
CN-1066138-C 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GMBH (DE) 2001-05-23 — — CN 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
CN-1141291-A 4-(Arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GMBH (DE) 1997-01-29 — — CN 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
CN-1066138-C 4-(arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GMBH (DE) 2001-05-23 — — CN 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
CN-1141291-A 4-(Arylaminomethylene)-2,4-dihydro-3-pyrazolones MERCK PATENT GMBH (DE) 1997-01-29 — — CN disclosed
EP-0743304-A1 4-(Arylaminomethylene)-2,4-dihydro-pyrazol-3-ones MERCK PATENT GmbH (DE) 1996-11-20 — — EP disclosed