SCHEMBL8188212

SCHEMBL8188212

CCCCCCCCCCCCCCCCCCOc1ccc(C=C2SC(=O)NC2=S)cc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 8/20 0.74
▸ MEN1 O00255 3/20 0.74
▸ MAPT P10636 3/20 0.74
▸ KMT2A Q03164 3/20 0.74
▸ ALDH1A1 P00352 2/20 0.74
▸ LMNA P02545 2/20 0.74
▸ SMN1; SMN2 Q16637 2/20 0.74
▸ POLB P06746 1/20 0.74
▸ MAPK1 P28482 1/20 0.74
▸ RAB9A P51151 1/20 0.74
▸ PIM1 P11309 2/20 0.64
▸ PIM2 Q9P1W9 2/20 0.64
▸ CISD1 Q9NZ45 1/20 0.59
▸ TDP1 Q9NUW8 7/20 0.55
▸ PNP P00491 1/20 0.53
▸ RECQL P46063 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.50

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
SCHEMBL8188211 1.00 HPGD (0.74) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL8183101 0.96 HPGD (0.80) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL8183100 0.96 HPGD (0.80) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL8182614 0.91 HPGD (0.80) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL8182611 0.91 HPGD (0.80) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL8186886 0.85 PIM1 (0.64) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL8186882 0.85 PIM1 (0.64) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL8203940 0.84 HPGD (0.69) HPGDMEN1MAPTKMT2AALDH1A1
SCHEMBL13846898 0.84 PIM1 (0.67) MEN1KMT2APOLBRAB9APIM1
SCHEMBL8203936 0.84 HPGD (0.69) HPGDMEN1MAPTKMT2AALDH1A1

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-2000018746-A1 THIAZOLIDINE DERIVATIVES FOR THE TREATMENT AND PREVENTION OF METABOLIC BONE DISORDERS ROCHE DIAGNOSTICS GMBH (DE) 2000-04-06 — — WO disclosed
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