SCHEMBL8794342

SCHEMBL8794342

COc1cc2c(C(=O)O)c(C(=O)O)[nH]c2cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.46
MTNR1B P49286 3/20 0.46
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A4 P31645 1/20 0.41
CYP2C19 P33261 1/20 0.41
THPO P40225 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL31025898 0.87 MTNR1A (0.50) MTNR1AMTNR1BKDM4EGAANPSR1
SCHEMBL8794436 0.84 L3MBTL1 (0.58) MTNR1AMTNR1BKDM4EGAANPSR1
SCHEMBL8795026 0.81 MTNR1A (0.48) MTNR1AMTNR1BKDM4EGAANPSR1
SCHEMBL9671391 0.78 MTNR1A (0.45) MTNR1AMTNR1BKDM4EGAANPSR1
SCHEMBL11802166 0.77 MTNR1A (0.55) MTNR1AMTNR1BKDM4EGAANPSR1
SCHEMBL14492311 0.75 KDM4E (0.58) MTNR1AMTNR1BKDM4EGAAMAPT
SCHEMBL17417787 0.73 PRKAG1 (0.66) MTNR1AMTNR1BMEN1KMT2ALMNA
SCHEMBL19322240 0.71 MTNR1A (0.42) MTNR1AMTNR1BKDM4EGAANPSR1
SCHEMBL4344125 0.71 KDM4E (0.71) KDM4EGAANPSR1MAPTTDP1
SCHEMBL27948924 0.71 GPR35 (0.66) MAPTCYP1A2CYP2C9GPR35

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
US-5652239-A TREATMENT OF STROKES, ISCHEMIC ATTACK, ANTAGONISTS OF EXCITATORY AMINO ACIDS GLUTAMATE AND ASPARTATE IMPERIAL CHEMICAL COMPANY (GB) 1997-07-29 US disclosed
EP-0512817-B1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LTD (GB) 1997-02-19 EP disclosed
EP-0512817-A1 Pyridazinedione derivatives, their preparation and pharmaceutical applications ZENECA LIMITED (GB) 1992-11-11 EP disclosed