SCHEMBL6627174

SCHEMBL6627174

C=CCSc1nc(-c2ccccc2)c[nH]1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.49
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ALDH1A1 P00352 10/20 0.46
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RECQL P46063 1/20 0.34

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
SCHEMBL6629853 0.78 HTT (0.50) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL1267770 0.76 HPGD (0.39) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7064321 0.73 IDH1 (0.39) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL8466325 0.73 HDAC1 (0.34) KMT2AALDH1A1HTTGAAKDM4E
SCHEMBL6628026 0.72 LMNA (0.52) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6582698 0.72 RAB9A (0.42) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6482032 0.72 KDM4E (0.51) L3MBTL1ALDH1A1MAPTRAB9AKDM4E
SCHEMBL6627821 0.71 MEN1 (0.39) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11876056 0.71 MEN1 (0.42) HPGDMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4266835 0.71 ALDH1A1 (0.61) HPGDMEN1KMT2AL3MBTL1ALDH1A1

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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