SCHEMBL8203936

SCHEMBL8203936

CN(C)CCCOc1ccc(/C=C2\SC(=O)NC2=S)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.69
▸ MEN1 O00255 2/20 0.69
▸ ALDH1A1 P00352 2/20 0.69
▸ LMNA P02545 2/20 0.69
▸ MAPT P10636 2/20 0.69
▸ KMT2A Q03164 2/20 0.69
▸ POLB P06746 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ RAB9A P51151 1/20 0.69
▸ SMN1; SMN2 Q16637 1/20 0.69
▸ DNM1 Q05193 2/20 0.64
▸ PIM1 P11309 2/20 0.56
▸ PIM2 Q9P1W9 2/20 0.56
▸ CISD1 Q9NZ45 1/20 0.55
▸ TDP1 Q9NUW8 6/20 0.52
▸ PNP P00491 1/20 0.52
▸ PPARG P37231 2/20 0.52
▸ RECQL P46063 1/20 0.51

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
SCHEMBL8203940 1.00 HPGD (0.69) HPGDMEN1ALDH1A1LMNAMAPT
SCHEMBL8183101 0.87 HPGD (0.80) HPGDMEN1ALDH1A1LMNAMAPT
SCHEMBL8183100 0.87 HPGD (0.80) HPGDMEN1ALDH1A1LMNAMAPT
SCHEMBL8182614 0.85 HPGD (0.80) HPGDMEN1ALDH1A1LMNAMAPT
SCHEMBL8182611 0.85 HPGD (0.80) HPGDMEN1ALDH1A1LMNAMAPT
SCHEMBL31482533 0.84 MEN1 (0.67) MEN1KMT2APOLBRAB9ADNM1
SCHEMBL31482534 0.84 MEN1 (0.67) MEN1KMT2APOLBRAB9ADNM1
SCHEMBL8188212 0.84 HPGD (0.74) HPGDMEN1ALDH1A1LMNAMAPT
SCHEMBL8188211 0.84 HPGD (0.74) HPGDMEN1ALDH1A1LMNAMAPT
SCHEMBL31482535 0.78 DNM1 (1.00) ALDH1A1LMNAMAPTMAPK1RAB9A

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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