SCHEMBL9534735

SCHEMBL9534735

O=C1CC(c2ccccc2O)=NN1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.63
CD274 Q9NZQ7 2/20 0.48
PDCD1 Q15116 1/20 0.44
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
CASP6 P55212 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 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
SCHEMBL10381309 0.89 MAOB (0.60) MAOBCD274PDCD1KDM4EPOLB
SCHEMBL10381326 0.89 MAOB (0.60) MAOBCD274PDCD1KDM4EPOLB
SCHEMBL9533962 0.86 MAOB (0.62) MAOBCD274PDCD1KDM4ETDP1
SCHEMBL9531614 0.86 MAOB (0.49) MAOBCD274KDM4EPOLBCASP6
SCHEMBL9536771 0.85 MAOB (0.61) MAOBCD274PDCD1KDM4EPOLB
SCHEMBL10382659 0.83 MAOB (0.64) MAOBKDM4EPOLBTDP1L3MBTL1
SCHEMBL9536658 0.82 MAOB (0.64) MAOBCD274KDM4ETDP1L3MBTL1
SCHEMBL9532937 0.81 MAOB (0.62) MAOBCD274PDCD1KDM4EPOLB
SCHEMBL9534068 0.81 MAOB (0.62) MAOBKDM4EPOLBTDP1L3MBTL1
SCHEMBL9533087 0.81 MAOB (0.57) MAOBKDM4EPOLBCASP6CTDSP1

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-0539372-A1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1993-05-05 EP disclosed
WO-1991011448-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1991-08-08 WO disclosed
WO-1990001481-A1 THERAPEUTIC AGENTS THE BOOTS COMPANY PLC (GB) 1990-02-22 WO disclosed