SCHEMBL5778490

SCHEMBL5778490

O=[N+]([O-])c1cccc(CNc2nc(-n3cncn3)nc3sc4c(c23)CCCC4)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEL Q05823 1/20 0.45
PDE5A O76074 4/20 0.43
HTT P42858 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PTGS2 P35354 5/20 0.42
KDM4E B2RXH2 5/20 0.40
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
USP2 O75604 1/20 0.38
ALOX15 P16050 1/20 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
SCHEMBL5778201 0.88 RNASEL (0.45) RNASELPDE5AHTTMAPTMEN1
SCHEMBL7450896 0.86 PDE5A (0.53) RNASELPDE5AHTTMAPTMEN1
SCHEMBL7126312 0.85 PDE5A (0.59) PDE5AHTTMAPTMEN1KMT2A
SCHEMBL5119048 0.83 PDE5A (0.42) PDE5AMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7129443 0.82 HTT (0.47) PDE5AHTTMAPTMEN1KMT2A
SCHEMBL5781751 0.82 RNASEL (0.51) RNASELPDE5AHTTMAPTMEN1
SCHEMBL5123615 0.82 KCNN3 (0.42) PDE5AMAPTMEN1KMT2AALDH1A1
SCHEMBL5777730 0.82 MAPT (0.47) PDE5AHTTMAPTMEN1KMT2A
SCHEMBL5121701 0.82 MAPT (0.43) PDE5AMAPTMEN1KMT2AALDH1A1
SCHEMBL5780076 0.81 MEN1 (0.52) PDE5AHTTMAPTMEN1KMT2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685136-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 2006-08-02 EP disclosed
WO-2005047292-A1 USE OF THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 2005-05-26 WO disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 US disclosed
EP-0920431-A1 THIENOPYRIMIDINES MERCK PATENT GmbH (DE) 1999-06-09 EP disclosed
WO-1998006722-A1 THIENOPYRIMIDINES MERCK PATENT GMBH (DE) 1998-02-19 WO disclosed