SCHEMBL28101080

SCHEMBL28101080

Clc1ccccc1SCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.61
RAB9A P51151 2/20 0.47
HSD17B10 Q99714 2/20 0.47
GAA P10253 2/20 0.47
NPC1 O15118 1/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.46
PTPRG P23470 1/20 0.46
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
BACE1 P56817 1/20 0.44
AR P10275 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
KMT2A Q03164 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PTPRC P08575 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL8373225 0.84 POLB (0.53) POLBHSD17B10GAALMNASMN1; SMN2
SCHEMBL28009528 0.83 POLB (0.61) POLBRAB9AHSD17B10GAANPC1
SCHEMBL4551419 0.82 PTPRG (0.55) POLBRAB9AHSD17B10GAALMNA
SCHEMBL10686350 0.81 POLB (0.53) POLBRAB9AHSD17B10GAANPC1
SCHEMBL27141479 0.79 POLB (0.47) POLBHSD17B10GAALMNASMN1; SMN2
SCHEMBL8862277 0.79 KMT2A (0.50) POLBGAALMNAALDH1A1PTPRG
SCHEMBL15143413 0.79 PTPRG (0.51) POLBRAB9AHSD17B10GAAALDH1A1
SCHEMBL9507471 0.78 POLB (0.61) POLBRAB9AHSD17B10GAANPC1
SCHEMBL23092549 0.77 POLB (0.55) POLBRAB9AGAANPC1SMN1; SMN2
SCHEMBL29715308 0.77 POLB (0.55) POLBRAB9AGAANPC1SMN1; SMN2

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-106008298-A Green method for preparing asymmetric thioether from alcohol and mercaptan 温州大学 2016-10-12 CN disclosed