SCHEMBL14220257

SCHEMBL14220257

Nc1nc(/C=C2/SC(=S)N(Cc3ccc4c(c3)OCO4)C2=O)oc1N1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.50
▸ KMT2A Q03164 8/20 0.40
▸ MEN1 O00255 6/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 5/20 0.40
▸ PKM P14618 4/20 0.40
▸ CMA1 P23946 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90B1 P14625 1/20 0.38
▸ TRAP1 Q12931 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CRHBP P24387 1/20 0.38
▸ CYP2C19 P33261 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
SCHEMBL4124359 0.88 MAPK1 (0.48) MAPK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL4124362 0.88 MAPK1 (0.48) MAPK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL4124365 0.88 MAPK1 (0.48) MAPK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL4140832 0.78 MAPK1 (0.54) MAPK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL4140829 0.78 MAPK1 (0.54) MAPK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL4138637 0.75 MAPK1 (0.72) MAPK1KMT2AMEN1MAPTPKM
SCHEMBL4138638 0.75 MAPK1 (0.72) MAPK1KMT2AMEN1MAPTPKM
SCHEMBL4137071 0.74 KMT2A (0.53) MAPK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL4132847 0.74 DDX3X (0.52) MAPK1KMT2AMEN1ALDH1A1MAPT
SCHEMBL4137076 0.74 KMT2A (0.53) MAPK1KMT2AMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1916249-A1 3-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(thio)oxo-2-(thio)oxo-azolidin-5-ylidene derivatives as antibacterial agents LEK Pharmaceuticals D.D. (SI) 2008-04-30 — — EP disclosed
WO-2008043733-A1 3- (BENZO [D] [1,3] DIOXOL-5-YLMETHYL) -4- (THIO) OXO-2- (THIO) OXO-AZOLIDIN-5-YLIDENE DERIVATIVES AS ANTIBACTERIAL AGENTS LEK PHARMACEUTICAL D.D. (SI) 2008-04-17 — — WO disclosed
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