SCHEMBL8636738

SCHEMBL8636738

[CH2]CCCCOc1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.32
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MEN1 O00255 1/20 0.30
APAF1 O14727 1/20 0.30
KMT2A Q03164 1/20 0.30
RXRA P19793 2/20 0.30
GRIN1 Q05586 2/20 0.30
GRIN2B Q13224 2/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6708469 0.85 MEN1 (0.32) MEN1APAF1KMT2A
SCHEMBL27859966 0.74 NR5A1 (0.44) TSHRALDH1A1
SCHEMBL9683872 0.74 NR5A1 (0.44) TSHRALDH1A1
SCHEMBL9851145 0.74 NR5A1 (0.44) TSHRALDH1A1
SCHEMBL6604578 0.74 LOX (0.39) HSD17B10KMT2AALDH1A1
SCHEMBL450077 0.74 NPC1 (0.45) KCNA3ALOX15TSHRHSD17B10ALDH1A1
SCHEMBL8805899 0.74
SCHEMBL28271433 0.73 PDE5A (0.37) MEN1APAF1KMT2AALDH1A1
SCHEMBL4268840 0.73 CYP2D6 (0.48) MAPK1
SCHEMBL29566876 0.73 ALDH1A1 (0.41) TSHRALDH1A1

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
EP-0577712-B1 FUNGICIDAL 4-THIOXOOXAZOLIDIN-2-ONES AND 4-IMINOOXAZOLINDIN-2-ONES DU PONT (US) 1998-07-29 EP disclosed