SCHEMBL11034458

SCHEMBL11034458

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 9/20 0.54
▸ HPGD P15428 4/20 0.54
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MAPT P10636 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ POLB P06746 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ DCUN1D1 Q96GG9 1/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL8407246 0.76 ALDH1A1 (0.50) ALDH1A1HPGDL3MBTL1MAPTGFER
SCHEMBL4266835 0.72 ALDH1A1 (0.61) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL5441103 0.70 GAA (0.49) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL7322860 0.69 DCUN1D1 (0.56) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL3365328 0.69 MEN1 (0.64) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL7713820 0.68 HPGD (0.49) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL8671162 0.68 HPGD (1.00) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL6627174 0.68 HPGD (0.49) ALDH1A1HPGDMEN1KMT2AL3MBTL1
SCHEMBL23646023 0.67 ATM (0.50) ALDH1A1HPGDMAPTGFERATM
SCHEMBL3365333 0.66 MAOB (0.65) ALDH1A1HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59021673-A — — None — — JP disclosed
JP-S5921673-A PREPARATION OF 4-ALLYL-6-PHENYL-1,2,4-TRIAZIN-5(2H)-ONE-3- THIONE SUMITOMO CHEM CO LTD 1984-02-03 — — JP disclosed
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