SCHEMBL8583548

SCHEMBL8583548

O=C(OO)c1cccc(Cl)c1.[O-][n+]1ccc2c(c1)C1=NN(c3ccc(Cl)cc3)CCC1CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
PTGS2 P35354 1/20 0.33
ALDH1A1 P00352 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
MAPT P10636 2/20 0.32
MGLL Q99685 1/20 0.32
GAA P10253 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
GLA P06280 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP3 P42574 1/20 0.32
RECQL P46063 1/20 0.32
SENP8 Q96LD8 1/20 0.32

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
SCHEMBL8115137 0.84 KDM4E (0.40) L3MBTL1PTGS2ALDH1A1NPSR1LMNA
SCHEMBL8578786 0.70 KDM4E (0.61) L3MBTL1PTGS2ALDH1A1NPSR1LMNA
SCHEMBL8124724 0.67 KDM4E (0.38) L3MBTL1PTGS2ALDH1A1NPSR1LMNA
SCHEMBL8122081 0.66 ALDH1A1 (0.42) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL8115136 0.64 KDM4E (0.43) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL28835845 0.64 PARP1 (0.49) L3MBTL1ALDH1A1NPSR1GAARAB9A
SCHEMBL8123737 0.64 ALDH1A1 (0.42) L3MBTL1ALDH1A1LMNAMAPTGAA
SCHEMBL4370629 0.62 PARP1 (0.64) TSHRRXFP1L3MBTL1ALDH1A1NPSR1
SCHEMBL1259 0.62 PARP1 (0.64) TSHRRXFP1L3MBTL1ALDH1A1NPSR1
SCHEMBL29351761 0.62 PARP1 (0.64) TSHRRXFP1L3MBTL1ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998009969-A1 NOVEL ARYL-PYRIDAZINES ASTRA PHARMACEUTICALS LTD. (GB) 1998-03-12 WO disclosed