SCHEMBL7012162

SCHEMBL7012162

Cc1sc2nc(N3CCC(OC(=O)O)CC3)nc(NCc3ccccc3)c2c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 2/20 0.44
RXFP1 Q9HBX9 2/20 0.44
GAA P10253 1/20 0.44
EPHX2 P34913 1/20 0.44
MAPK1 P28482 2/20 0.43
PDE5A O76074 2/20 0.42
HRH4 Q9H3N8 1/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 1/20 0.41
NOD2 Q9HC29 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
CTNNB1 P35222 3/20 0.40
TCF7L2 Q9NQB0 3/20 0.40

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
SCHEMBL7012724 0.93 GAA (0.45) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL7013850 0.92 EPHX2 (0.43) KDM4EEPHX2MAPK1PDE5AHRH4
SCHEMBL7012439 0.91 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL7020121 0.88 GAA (0.41) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL7017474 0.88 JAK2 (0.40) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL8171027 0.88 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL7015293 0.87 TP53 (0.41) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL7021049 0.86 PDE4A (0.51) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL7013393 0.86 PDE4A (0.46) ALDH1A1SMN1; SMN2KDM4ELMNAHTT
SCHEMBL8179718 0.86 MAPT (0.46) ALDH1A1SMN1; SMN2KDM4ELMNAGAA

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-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed
EP-0934321-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GmbH (DE) 1999-08-11 EP disclosed
WO-1998017668-A1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 1998-04-30 WO disclosed