SCHEMBL2857503

SCHEMBL2857503

CCCc1nn(C)c2c(Nc3ccc(F)cc3)nc(Cl)nc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.38
GAA P10253 1/20 0.38
HTR2C P28335 2/20 0.38
TXN P10599 1/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE1C Q14123 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5333399 0.86 PDE5A (0.41) PDE5AHTR2CLMNAMEN1ALDH1A1
Hydrochloric Acid SCHEMBL5372075 0.85 PDE5A (0.40) PDE5AHTR2CLMNAMEN1ALDH1A1
SCHEMBL5435892 0.79 PDE5A (0.40) PDE5ALMNAMEN1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL5328910 0.78 PDE5A (0.38) PDE5ALMNAMEN1KMT2AHDAC1
Hydrochloric Acid SCHEMBL5364779 0.77 BRD4 (0.41) PDE5AHDAC1HDAC6
Hydrochloric Acid SCHEMBL5324056 0.77 BCL6 (0.44) PDE5ALMNAMEN1KMT2AHDAC1
SCHEMBL4038080 0.76 CCNA2 (0.47) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4036183 0.76 PDE5A (0.39) PDE5ALMNAMEN1ALDH1A1HPGD
SCHEMBL4040447 0.76 PDE5A (0.41) PDE5AMEN1ALDH1A1HPGDPDE1A
SCHEMBL4037512 0.76 PDE5A (0.38) PDE5AMEN1ALDH1A1HPGDPDE1A

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-2010118367-A2 ANTIVIRAL PYRIMIDINES PROGENICS PHARMACEUTICALS, INC. (US) 2010-10-14 WO disclosed