SCHEMBL7350459

SCHEMBL7350459

ClCCBr.ClCCn1cccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
FDPS P14324 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
THRB P10828 1/20 0.31
IDO1 P14902 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL464768 0.91
SCHEMBL200982 0.82
Bromide SCHEMBL31039724 0.80
SCHEMBL4116864 0.78
SCHEMBL1426071 0.78
Hydrochloric Acid SCHEMBL3789712 0.77 GAA (0.40) DAOFDPSGAAMAPTTSHR
SCHEMBL9486879 0.77 DAO (0.38) DAOFDPSGAAMAPTTSHR
SCHEMBL5713341 0.77 DAO (0.50) DAOFDPSGAAMAPTTSHR
SCHEMBL18543119 0.75 DAO (0.37) DAOFDPSGAAMAPTTSHR
SCHEMBL9528310 0.75 GAA (0.39) DAOFDPSGAAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977756-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION Pfizer Limited (GB) 2000-02-09 EP disclosed
WO-1998049166-A1 PYRAZOLOPYRIMIDINONES WHICH INHIBIT TYPE 5 CYCLIC GUANOSINE 3',5'-MONOPHOSPHATE PHOSPHODIESTERASE (cGMP PDE5) FOR THE TREATMENT OF SEXUAL DYSFUNCTION PFIZER LIMITED (GB) 1998-11-05 WO disclosed