SCHEMBL5778201

SCHEMBL5778201

O=[N+]([O-])c1cccc(CNc2nc(-n3cccn3)nc3sc4c(c23)CCCC4)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNASEL Q05823 1/20 0.45
PTGS2 P35354 4/20 0.44
HTT P42858 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE5A O76074 2/20 0.42
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNN3 Q9UGI6 1/20 0.40
PRKCI P41743 4/20 0.39
TDP1 Q9NUW8 1/20 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
SCHEMBL5778490 0.88 RNASEL (0.45) RNASELPTGS2HTTMAPTMEN1
SCHEMBL7450896 0.87 PDE5A (0.53) RNASELPTGS2HTTMAPTMEN1
SCHEMBL5781621 0.85 PDE5A (0.57) PTGS2HTTMAPTMEN1KMT2A
SCHEMBL5781601 0.85 HTT (0.45) RNASELPTGS2HTTMAPTMEN1
SCHEMBL5129570 0.83 PDE5A (0.42) MAPTMEN1KMT2ASMN1; SMN2PDE5A
SCHEMBL7121344 0.83 HTT (0.47) HTTMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5781751 0.83 RNASEL (0.51) RNASELPTGS2HTTMAPTMEN1
SCHEMBL5781158 0.82 MEN1 (0.53) PTGS2HTTMAPTMEN1KMT2A
SCHEMBL5777235 0.82 PRKCI (0.58) PTGS2PRKCIPRKCZ
SCHEMBL5777938 0.82 MAPT (0.47) PTGS2HTTMAPTMEN1KMT2A

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 5 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