SCHEMBL8173296

SCHEMBL8173296

S=C1NC(=S)/C(=C/c2cc3ccccc3c3ccccc23)S1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 7/20 0.51
▸ TDP1 Q9NUW8 4/20 0.43
▸ PTP4A3 O75365 3/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ MAPT P10636 3/20 0.40
▸ NAT1 P18440 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ RECQL P46063 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.40
▸ MYC P01106 1/20 0.38
▸ MAX P61244 1/20 0.38

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
SCHEMBL8173297 1.00 PIM1 (0.51) PIM1TDP1PTP4A3MEN1KMT2A
SCHEMBL14226362 0.86 PIM1 (0.71) PIM1PTP4A3MEN1KMT2ARAB9A
SCHEMBL8187020 0.86 TDP1 (0.60) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8187019 0.86 TDP1 (0.60) TDP1MEN1KMT2AMAPTALDH1A1
SCHEMBL8173766 0.82 PIM1 (0.74) PIM1TDP1MEN1KMT2ARAB9A
SCHEMBL8173768 0.82 PIM1 (0.74) PIM1TDP1MEN1KMT2ARAB9A
SCHEMBL15101827 0.73 TTR (0.69) PIM1TDP1MEN1KMT2AMAPT
SCHEMBL8171866 0.71 PIM1 (0.46) PIM1TDP1MEN1KMT2ARAB9A
SCHEMBL8171863 0.71 PIM1 (0.46) PIM1TDP1MEN1KMT2ARAB9A
SCHEMBL8177340 0.71 GSK3B (0.58) PIM1TDP1MEN1KMT2ARAB9A

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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