SCHEMBL8772127

SCHEMBL8772127

O=C(O)C1(C(=O)O)Cc2cc(Br)ccc2N1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
SRD5A1 P18405 1/20 0.39
SRD5A2 P31213 1/20 0.39
CMA1 P23946 1/20 0.39
AHR P35869 1/20 0.39
TDP2 O95551 1/20 0.37
TGM2 P21980 1/20 0.36
CES1 P23141 1/20 0.36
DYRK1A Q13627 1/20 0.35
SLC22A12 Q96S37 4/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
HSP90AA1 P07900 1/20 0.35
CCNB1 P14635 1/20 0.35
CCR6 P51684 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PLA2G1B P04054 1/20 0.34
GAPDH P04406 1/20 0.34

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
SCHEMBL8649379 0.87 POLB (0.41) BRD4SRD5A1SRD5A2CMA1AHR
SCHEMBL8649374 0.81 POLB (0.44) BRD4CMA1AHRTDP2DYRK1A
SCHEMBL27640660 0.80 BRD4 (0.43) BRD4SRD5A1SRD5A2CMA1AHR
SCHEMBL650500 0.71 BRD4 (0.48) BRD4SRD5A1SRD5A2CMA1AHR
SCHEMBL31394401 0.71 BRD4 (0.46) BRD4CMA1AHRTDP2TGM2
SCHEMBL19586030 0.69 SRD5A1 (0.42) SRD5A1SRD5A2CMA1AHRTDP2
SCHEMBL8650338 0.67 POLB (0.38) CCNB2CDK1CCNB1CCNB3MEN1
SCHEMBL240792 0.67 TDP2 (0.41) SRD5A1SRD5A2CMA1AHRTDP2
SCHEMBL30758541 0.67 TDP2 (0.41) SRD5A1SRD5A2CMA1AHRTDP2
SCHEMBL7214466 0.65 BRD4 (0.52) BRD4SRD5A1SRD5A2CMA1AHR

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
EP-0801060-A1 Heterocyclic Beta-3 Adrenergenic Agonists PFIZER INC. (US) 1997-10-15 EP disclosed