SCHEMBL9536658

SCHEMBL9536658

Cc1ccc(N2N=C(c3ccccc3O)CC2=O)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.64
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CHRM2 P08172 1/20 0.49
CYP3A4 P08684 1/20 0.49
CHRM1 P11229 1/20 0.49
TSHR P16473 1/20 0.49
PTGS1 P23219 1/20 0.49
DRD3 P35462 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CD274 Q9NZQ7 1/20 0.48
APP P05067 3/20 0.48
GRK5 P34947 1/20 0.45
CDK8 P49336 1/20 0.45

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
SCHEMBL10382659 0.90 MAOB (0.64) MAOBMEN1KMT2AGAAMAPT
SCHEMBL9533962 0.87 MAOB (0.62) MAOBMEN1KMT2AGAAMAPT
SCHEMBL9534068 0.87 MAOB (0.62) MAOBMEN1KMT2AGAAMAPT
SCHEMBL9532937 0.87 MAOB (0.62) MAOBMEN1KMT2AGAAMAPT
SCHEMBL9534595 0.87 MAOB (0.59) MAOBMEN1KMT2AGAAMAPT
SCHEMBL10381175 0.87 MAOB (0.59) MAOBMEN1KMT2AGAAMAPT
SCHEMBL10381297 0.84 MAOB (0.57) MAOBMEN1KMT2AGAAMAPT
SCHEMBL10381326 0.84 MAOB (0.60) MAOBMEN1KMT2AGAAMAPT
SCHEMBL9532759 0.84 MAOB (0.59) MAOBMEN1KMT2AGAAMAPT
SCHEMBL5775147 0.84 MAOB (0.59) MAOBMEN1KMT2AGAAMAPT

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