SCHEMBL6628176

SCHEMBL6628176

C1=CN[C](CSc2nc(-c3ccccc3)c[nH]2)C=C1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ ACMSD Q8TDX5 1/20 0.35
▸ MEN1 O00255 3/20 0.32
▸ MAPK1 P28482 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ PDE10A Q9Y233 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ TP53 P04637 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
SCHEMBL6625834 0.87 MGAM (0.34) LMNAGAAHPGDTSHR
SCHEMBL6625483 0.84 MEN1 (0.38) KMT2AHTTLMNAMEN1MAPK1
SCHEMBL6629853 0.77 HTT (0.50) KMT2AHTTACMSDMEN1POLB
SCHEMBL6482032 0.71 KDM4E (0.51) LMNAKDM4EALDH1A1
SCHEMBL6628026 0.71 LMNA (0.52) KMT2AHTTLMNAMEN1MAPK1
SCHEMBL6627174 0.69 HPGD (0.49) KMT2AHTTMEN1POLBKDM4E
SCHEMBL7451163 0.68 PDE10A (0.44) KMT2AHTTLMNAMEN1MAPK1
SCHEMBL6627560 0.68 KMT2A (0.45) KMT2AHTTLMNAMEN1MAPK1
SCHEMBL6628178 0.68 PDE10A (0.35) KMT2AHTTLMNAACMSDMEN1
SCHEMBL6627821 0.66 MEN1 (0.39) KMT2ALMNAMEN1MAPK1KDM4E

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
JP-2004525942-A — — 2004-08-26 — — JP claimed
US-20040116495-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-06-17 — — US claimed
EP-1379241-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 — — EP claimed
WO-2002078699-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 — — WO claimed
US-20040116495-A1 Compounds and methods SMITHKLINE BEECHAM CORPORATION 2004-06-17 — — US disclosed
EP-1379241-A1 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2004-01-14 — — EP disclosed
WO-2002078699-A1 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2002-10-10 — — WO disclosed
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