SCHEMBL7583160

SCHEMBL7583160

COc1ccc(C(=O)c2cccc(Cc3ccc(=O)[nH]n3)c2C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 5/20 0.39
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 2/20 0.39
PLA2G1B P04054 1/20 0.39
ALOX12 P18054 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 1/20 0.39
RAB9A P51151 2/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 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
SCHEMBL7583782 0.89 KMT2A (0.42) KMT2ALMNAMEN1ALDH1A1NPSR1
SCHEMBL7586143 0.88 KMT2A (0.47) KMT2ALMNAMEN1ALDH1A1NPSR1
SCHEMBL8505747 0.78 KMT2A (0.45) KMT2ALMNAMEN1ALDH1A1NPSR1
SCHEMBL7581125 0.77 LMNA (0.36) KMT2ALMNAMEN1ALDH1A1MAPT
SCHEMBL7584357 0.75 CYP3A4 (0.47) KMT2ALMNAMEN1ALDH1A1NPSR1
SCHEMBL8905554 0.73 LMNA (0.45) LMNAALDH1A1NPSR1MAPTALOX15
SCHEMBL9030442 0.73 ABCB11 (0.42) KMT2ALMNAMEN1ALDH1A1NPSR1
SCHEMBL7580853 0.72 CYP3A4 (0.41) NPSR1ALOX15KDM4EHPGDAKR1B1
SCHEMBL7590521 0.72 HPGD (0.48) LMNAALDH1A1MAPTALOX15MAPK1
SCHEMBL7588896 0.72 CYP3A4 (0.42) KMT2ALMNAMEN1ALDH1A1NPSR1

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-0810218-B1 6-Benzyl-2H-pyridazin-3-one derivatives,their preparation and their use as inhibitors of prostaglandin G/H synthase I and II (COX I and COX II) HOFFMANN LA ROCHE (CH) 2002-12-04 EP claimed
US-5886178-A ADMINISTERING OF A PROSTAGLANDIN G/H SYNTHASE INHIBITOR TO A PATIENT TO TREAT INFLAMMATORY OR AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1999-03-23 US claimed
EP-0810218-A1 6-Benzyl-2H-pyridazin-3-one derivatives,their preparation and their use as inhibitors of prostaglandin G/H synthase I and II (COX I and COX II) F. HOFFMANN-LA ROCHE AG (CH) 1997-12-03 EP claimed
EP-0810218-B1 6-Benzyl-2H-pyridazin-3-one derivatives,their preparation and their use as inhibitors of prostaglandin G/H synthase I and II (COX I and COX II) HOFFMANN LA ROCHE (CH) 2002-12-04 EP disclosed
US-5886178-A ADMINISTERING OF A PROSTAGLANDIN G/H SYNTHASE INHIBITOR TO A PATIENT TO TREAT INFLAMMATORY OR AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1999-03-23 US disclosed
EP-0810218-A1 6-Benzyl-2H-pyridazin-3-one derivatives,their preparation and their use as inhibitors of prostaglandin G/H synthase I and II (COX I and COX II) F. HOFFMANN-LA ROCHE AG (CH) 1997-12-03 EP disclosed