SCHEMBL8720669

SCHEMBL8720669

CSc1nc(Oc2ccnc(Cl)c2)cc(N(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 7/20 0.35
NPSR1 Q6W5P4 3/20 0.35
TSHR P16473 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 7/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
MAPK1 P28482 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.31
THRB P10828 1/20 0.30
ESR1 P03372 1/20 0.30

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
SCHEMBL8720519 0.79 KMT2A (0.36) HTTKMT2AMEN1LMNANPSR1
SCHEMBL8720514 0.78 LMNA (0.37) KMT2AMEN1LMNASMN1; SMN2TP53
SCHEMBL8720487 0.73 MEN1 (0.45) HTTKMT2AMEN1LMNANPSR1
SCHEMBL8720486 0.72 MAPT (0.46) HTTKMT2AMEN1LMNANPSR1
SCHEMBL1124026 0.70 POLB (0.60) HTTGAAKMT2AMEN1LMNA
SCHEMBL8723614 0.69 LOX (0.41) MAPT
SCHEMBL8721109 0.68 F2 (0.44) HTTGAAL3MBTL1
SCHEMBL6625062 0.66 MEN1 (0.59) HTTGAAKMT2AMEN1LMNA
SCHEMBL6623348 0.66 MEN1 (0.69) HTTGAAKMT2AMEN1LMNA
SCHEMBL11057444 0.64 SLC6A4 (0.46) HTTGAATSHRPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700391-B1 HERBICIDAL COMPOUNDS SHELL INT RESEARCH (NL) 1998-10-21 EP disclosed
US-5759956-A PYRAZINE CARBOXAMIDE DERIVATIVES AMERICAN CYANAMID COMPANY (US) 1998-06-02 US disclosed
EP-0700391-A1 HERBICIDAL COMPOUNDS SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1996-03-13 EP disclosed
WO-1994027974-A1 HERBICIDAL COMPOUNDS SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1994-12-08 WO disclosed