SCHEMBL7583543

SCHEMBL7583543

COc1ccc(C(=O)c2cccc(C)c2Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
HPGD P15428 1/20 0.56
RAB9A P51151 4/20 0.54
MAPT P10636 3/20 0.54
NPC1 O15118 3/20 0.50
POLB P06746 1/20 0.49
NPSR1 Q6W5P4 4/20 0.47
HTT P42858 2/20 0.47
MAPK1 P28482 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
PDF Q9HBH1 3/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46

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
SCHEMBL9360054 0.84 KMT2A (0.59) KMT2AHPGDRAB9AMAPTNPC1
SCHEMBL6357074 0.83 KMT2A (0.68) KMT2AHPGDRAB9AMAPTNPC1
SCHEMBL28358891 0.83 AKR1C3 (0.56) KMT2ARAB9AMAPTNPC1HTT
SCHEMBL7585613 0.83 NR4A1 (0.56) KMT2AHPGDRAB9AMAPTNPC1
SCHEMBL30822629 0.83 KMT2A (0.63) KMT2AHPGDRAB9AMAPTNPC1
SCHEMBL257374 0.82 AKR1C3 (0.52) KMT2AHPGDMAPTPOLBNPSR1
SCHEMBL1407369 0.81 KMT2A (0.56) KMT2AHPGDRAB9AMAPTNPC1
SCHEMBL11842416 0.80 KMT2A (0.55) KMT2AHPGDRAB9AMAPTNPC1
SCHEMBL9712552 0.80 KMT2A (0.55) KMT2AHPGDRAB9AMAPTNPC1
SCHEMBL15760640 0.80 KMT2A (0.56) KMT2AHPGDRAB9AMAPTNPC1

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-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