SCHEMBL8171866

SCHEMBL8171866

S=C1NC(=S)C(=Cc2ccnc3ccccc23)S1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 7/20 0.46
▸ MEN1 O00255 5/20 0.41
▸ MAPT P10636 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ PIK3CD O00329 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ CLK1 P49759 1/20 0.41

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
SCHEMBL8171863 1.00 PIM1 (0.46) PIM1MEN1MAPTKMT2AALDH1A1
SCHEMBL8310560 0.86 PIM1 (0.64) PIM1MEN1MAPTKMT2AALDH1A1
SCHEMBL8310559 0.86 PIM1 (0.64) PIM1MEN1MAPTKMT2AALDH1A1
SCHEMBL8173766 0.77 PIM1 (0.74) PIM1MEN1MAPTKMT2AALDH1A1
SCHEMBL8173768 0.77 PIM1 (0.74) PIM1MEN1MAPTKMT2AALDH1A1
SCHEMBL1250373 0.75 CISD1 (0.64) PIM1MEN1KMT2AALDH1A1KDM4E
SCHEMBL1250371 0.75 CISD1 (0.64) PIM1MEN1KMT2AALDH1A1KDM4E
SCHEMBL8173296 0.71 PIM1 (0.51) PIM1MEN1MAPTKMT2AALDH1A1
SCHEMBL8173297 0.71 PIM1 (0.51) PIM1MEN1MAPTKMT2AALDH1A1
SCHEMBL3090738 0.68 MAPT (0.56) MEN1MAPTKMT2AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000018748-A1 RHODANINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — WO disclosed
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