SCHEMBL28898502

SCHEMBL28898502

O=C1OC(=O)c2cc(CS)ccc21

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 2/20 0.44
FOLH1 Q04609 5/20 0.43
IDO1 P14902 4/20 0.39
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TYMS P04818 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL7599687 0.83 ALOX15 (0.50) ALOX15TDP1ALDH1A1NPC1LMNA
SCHEMBL434869 0.83 ALOX15 (0.50) ALOX15TDP1ALDH1A1NPC1LMNA
SCHEMBL31012029 0.79 ALOX15 (0.46) ALOX15TDP1ALDH1A1NPC1LMNA
SCHEMBL14511002 0.79 ALOX15 (0.46) ALOX15TDP1ALDH1A1NPC1LMNA
SCHEMBL4958672 0.79 ALDH1A1 (0.60) ALOX15TDP1ALDH1A1NPC1LMNA
SCHEMBL4547146 0.79 ALOX15 (0.46) ALOX15TDP1ALDH1A1NPC1LMNA
SCHEMBL19036066 0.79 ALOX15 (0.46) ALOX15TDP1ALDH1A1NPC1LMNA
SCHEMBL18445782 0.79 ALOX15 (0.46) ALOX15TDP1ALDH1A1NPC1LMNA
SCHEMBL10796482 0.79 ALOX15 (0.46) ALOX15TDP1ALDH1A1NPC1LMNA
SCHEMBL20251161 0.79 ALOX15 (0.46) ALOX15TDP1ALDH1A1NPC1LMNA

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
CN-111500021-A Preparation method of flame-retardant epoxy resin composite material 山东金宝电子股份有限公司 2020-08-07 CN claimed