SCHEMBL8173768

SCHEMBL8173768

S=C1NC(=S)C(=Cc2cccc3ccccc23)S1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 5/20 0.74
▸ KMT2A Q03164 5/20 0.56
▸ MEN1 O00255 4/20 0.56
▸ TTR P02766 1/20 0.56
▸ AKR1B1 P15121 1/20 0.56
▸ SIRT2 Q8IXJ6 1/20 0.50
▸ SIRT1 Q96EB6 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ HTT P42858 2/20 0.48
▸ GLA P06280 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ TDP1 Q9NUW8 5/20 0.46
▸ NAT1 P18440 3/20 0.46
▸ MYC P01106 1/20 0.43
▸ MAX P61244 1/20 0.43
▸ RECQL P46063 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPK1 P28482 1/20 0.42

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
SCHEMBL8173766 1.00 PIM1 (0.74) PIM1KMT2AMEN1TTRAKR1B1
SCHEMBL1247506 0.85 PIM1 (1.00) PIM1KMT2AMEN1TTRAKR1B1
SCHEMBL1247507 0.85 PIM1 (1.00) PIM1KMT2AMEN1TTRAKR1B1
SCHEMBL8173296 0.82 PIM1 (0.51) PIM1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8173297 0.82 PIM1 (0.51) PIM1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8171863 0.77 PIM1 (0.46) PIM1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8171866 0.77 PIM1 (0.46) PIM1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8192006 0.74 NAT1 (0.74) PIM1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8192000 0.74 NAT1 (0.74) PIM1KMT2AMEN1ALDH1A1MAPT
SCHEMBL8176867 0.73 TDP1 (0.77) PIM1KMT2AMEN1ALDH1A1MAPT

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
Send feedback