SCHEMBL8115137

SCHEMBL8115137

[O-][n+]1ccc2c(c1)C1=NN(c3ccc(Cl)cc3)CCC1CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
GLA P06280 2/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 1/20 0.40
CASP3 P42574 1/20 0.40
RECQL P46063 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PTGS2 P35354 2/20 0.32
S1PR2 O95136 1/20 0.31
S1PR4 O95977 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
S1PR1 P21453 1/20 0.31

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
SCHEMBL8583548 0.84 TSHR (0.35) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL8578786 0.81 KDM4E (0.61) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL8122081 0.78 ALDH1A1 (0.42) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL8124724 0.77 KDM4E (0.38) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL8123737 0.75 ALDH1A1 (0.42) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL8127824 0.71 KCNH2 (0.39) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL8124327 0.71 KDM4E (0.40) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL8607073 0.69 KDM4E (0.49) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL8580755 0.69 KDM4E (0.80) KDM4EALDH1A1GAANPC1RAB9A
SCHEMBL7297701 0.65 ALDH1A1 (0.41) ALDH1A1NPC1MAPTMAPK1LMNA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1015450-A1 NOVEL PYRIDAZINE COMPOUNDS AstraZeneca UK Limited (GB) 2000-07-05 EP claimed
WO-1998009969-A1 NOVEL ARYL-PYRIDAZINES ASTRA PHARMACEUTICALS LTD. (GB) 1998-03-12 WO claimed
WO-1997045428-A1 NOVEL PYRIDAZINE COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-12-04 WO claimed
EP-1015450-A1 NOVEL PYRIDAZINE COMPOUNDS AstraZeneca UK Limited (GB) 2000-07-05 EP disclosed
US-5935956-A Pyridazine compounds ASTRA PHARMACEUTICALS LTD. (GB) 1999-08-10 US disclosed
WO-1998009969-A1 NOVEL ARYL-PYRIDAZINES ASTRA PHARMACEUTICALS LTD. (GB) 1998-03-12 WO disclosed
WO-1997045428-A1 NOVEL PYRIDAZINE COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-12-04 WO disclosed