SCHEMBL7010973

SCHEMBL7010973

O=C(O)OC1CCN(c2nc(NCc3ccc(Cl)c(Cl)c3)c3c4c(sc3n2)CCCC4)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
HTT P42858 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 3/20 0.40
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 4/20 0.40
ALOX15 P16050 3/20 0.40
USP2 O75604 2/20 0.40
PTGS2 P35354 2/20 0.39
CNR1 P21554 2/20 0.39
GPR55 Q9Y2T6 2/20 0.39
PDE5A O76074 1/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
GLA P06280 2/20 0.39
MAPK1 P28482 2/20 0.39

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
SCHEMBL7017130 0.92 PDE5A (0.46) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7013403 0.90 MAPT (0.45) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL8170158 0.90 PDE4A (0.48) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7009771 0.89 PDE5A (0.50) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7018537 0.89 KMT2A (0.48) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7015240 0.88 PDE4A (0.45) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7013924 0.88 MAPT (0.45) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7015052 0.87 PDE4A (0.50) MAPTHTTSMN1; SMN2MEN1KMT2A
SCHEMBL7018489 0.86 PDE4A (0.39) KMT2APDE5APDE4APDE4BPDE4C
SCHEMBL7020121 0.85 GAA (0.41) HTTSMN1; SMN2KMT2ALMNAKDM4E

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