SCHEMBL7018537

SCHEMBL7018537

O=C(O)OC1CCN(c2nc(NCc3ccc(F)cc3)c3c4c(sc3n2)CCCC4)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CTNNB1 P35222 9/20 0.43
TCF7L2 Q9NQB0 9/20 0.43
PDE5A O76074 1/20 0.43
CNR1 P21554 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
PTGS2 P35354 1/20 0.42
PRKCI P41743 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
POLB P06746 1/20 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
SCHEMBL7009771 0.94 PDE5A (0.50) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL8185831 0.90 MAPT (0.48) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7022055 0.90 SMN1; SMN2 (0.49) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7010973 0.89 MAPT (0.44) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7013924 0.87 MAPT (0.45) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7015052 0.86 PDE4A (0.50) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7015240 0.86 PDE4A (0.45) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL8170167 0.85 SMN1; SMN2 (0.48) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7017130 0.85 PDE5A (0.46) KMT2AMEN1MAPTHTTSMN1; SMN2
SCHEMBL7014043 0.85 RNASEL (0.41) KMT2AMEN1MAPTHTTSMN1; SMN2

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