SCHEMBL7013403

SCHEMBL7013403

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
HTT P42858 6/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
NPSR1 Q6W5P4 3/20 0.45
ACACA Q13085 1/20 0.41
ALDH1A1 P00352 8/20 0.41
KDM4E B2RXH2 7/20 0.41
LMNA P02545 4/20 0.41
ALOX15 P16050 3/20 0.41
USP2 O75604 2/20 0.41
HPGD P15428 5/20 0.40
GAA P10253 4/20 0.40
HSD17B10 Q99714 4/20 0.40
TSHR P16473 3/20 0.40
MAPK1 P28482 3/20 0.40
GLA P06280 2/20 0.40
PTGS2 P35354 1/20 0.40
CNR1 P21554 2/20 0.38

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
SCHEMBL7011555 0.93 PDE5A (0.44) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL7010973 0.90 MAPT (0.44) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL8171072 0.90 ALDH1A1 (0.47) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL7022055 0.89 SMN1; SMN2 (0.49) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL7019969 0.89 MEN1 (0.49) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL7016750 0.89 CNR1 (0.46) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL7020386 0.89 MAPT (0.44) MAPTHTTSMN1; SMN2KMT2AMEN1
SCHEMBL7015004 0.88 KMT2A (0.44) HTTSMN1; SMN2KMT2ANPSR1ALDH1A1
SCHEMBL7018206 0.88 KMT2A (0.40) SMN1; SMN2KMT2ANPSR1ALDH1A1KDM4E
SCHEMBL7016674 0.88 PTPN12 (0.47) MAPTHTTSMN1; SMN2KMT2AMEN1

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
EP-0934321-B1 THIENOPYRIMIDINE WITH PHOSPHODIESTERASE V INHIBITING EFFECT MERCK PATENT GMBH (DE) 2003-08-06 EP disclosed