SCHEMBL2880591

SCHEMBL2880591

CCCc1nn(C)c2c(N3CCCC3)nc(Cl)nc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PDE5A O76074 8/20 0.38
MTOR P42345 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
KMT2A Q03164 1/20 0.33
PDE1C Q14123 1/20 0.33
TERT O14746 2/20 0.33
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32

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
SCHEMBL2809986 0.78 PDE5A (0.43) ALDH1A1HPGDPDE5AMTORMEN1
SCHEMBL2857871 0.74 KMT2A (0.42) ALDH1A1HPGDKDM4EMAPTPDE5A
SCHEMBL3128161 0.73 MTOR (0.44) ALDH1A1HPGDPDE5AMTORMEN1
SCHEMBL28357438 0.73 TERT (0.48) ALDH1A1KDM4EMAPTPDE5AMTOR
SCHEMBL4037518 0.73 PDE5A (0.36) ALDH1A1HPGDKDM4EPDE5AMTOR
SCHEMBL3130798 0.72 PDE5A (0.44) ALDH1A1HPGDKDM4EPDE5AMTOR
SCHEMBL28361193 0.72 TERT (0.47) ALDH1A1KDM4EMAPTPDE5AMTOR
SCHEMBL7930957 0.68 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EMAPTPDE5A
SCHEMBL4037512 0.67 PDE5A (0.38) ALDH1A1HPGDKDM4EPDE5AMTOR
SCHEMBL5435892 0.67 PDE5A (0.40) ALDH1A1HPGDKDM4EMAPTPDE5A

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