SCHEMBL7018206

SCHEMBL7018206

CCOC(=O)OC1CCN(c2nc(NCc3ccc(Cl)c(Cl)c3)c3c(Cl)c(C)sc3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
PDE5A O76074 5/20 0.38
P2RY12 Q9H244 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TSHR P16473 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CCR2 P41597 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
CTNNB1 P35222 2/20 0.36
TCF7L2 Q9NQB0 2/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
STAT3 P40763 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HRH4 Q9H3N8 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
SCHEMBL7015004 0.94 KMT2A (0.44) KMT2APDE5AP2RY12SMN1; SMN2TSHR
SCHEMBL7017615 0.93 PDE5A (0.46) PDE5A
SCHEMBL7018489 0.92 PDE4A (0.39) KMT2APDE5ACCR2PDE4APDE4B
SCHEMBL7013874 0.91 KDM4E (0.43) KMT2ASMN1; SMN2KDM4EALDH1A1CTNNB1
SCHEMBL7018811 0.90 PDE4A (0.45) KMT2APDE5ATSHRKDM4EALDH1A1
SCHEMBL7014917 0.90 PDE5A (0.41) KMT2APDE5ATSHRPDE2A
SCHEMBL7008973 0.90 KMT2A (0.42) KMT2APDE5AKDM4EALDH1A1PDE4A
SCHEMBL8177714 0.89 ALDH1A1 (0.50) KMT2APDE5ASMN1; SMN2TSHRKDM4E
SCHEMBL7018175 0.89 PDE4A (0.50) KMT2APDE5ATSHRKDM4EALDH1A1
SCHEMBL7013403 0.88 MAPT (0.45) KMT2ASMN1; SMN2TSHRKDM4EALDH1A1

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