SCHEMBL8770608

SCHEMBL8770608

CCCCCC(=O)c1c(S(=O)(=O)c2ccc(C)cc2)[nH]c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.46
EGFR P00533 1/20 0.44
SRC P12931 1/20 0.44
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41

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
SCHEMBL8770763 0.99 OXER1 (0.51) OXER1ALDH1A1MAPTEGFRSRC
SCHEMBL29414726 0.79 EGFR (0.51) ALDH1A1MAPTEGFRSRCGAA
SCHEMBL28033014 0.78 TUBB4A (0.50) OXER1ALDH1A1MAPTGAALMNA
SCHEMBL29484405 0.76 EGFR (0.48) ALDH1A1MAPTEGFRSRCGAA
SCHEMBL29484406 0.76 EGFR (0.48) ALDH1A1MAPTEGFRSRCGAA
SCHEMBL5960523 0.75 EGFR (0.47) ALDH1A1MAPTEGFRSRCGAA
SCHEMBL17022468 0.74 OXER1 (0.62) OXER1ALDH1A1MAPTGAAKMT2A
SCHEMBL9268276 0.72 OXER1 (0.62) OXER1ALDH1A1MAPTKMT2AMEN1
SCHEMBL15512501 0.72 OXER1 (0.62) OXER1ALDH1A1MAPTKMT2AMEN1
SCHEMBL5960508 0.71 EGFR (0.56) ALDH1A1MAPTEGFRSRCGAA

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-0797769-A1 SEMICONDUCTING ORGANIC POLYMERS AROMASCAN PLC (GB) 1997-10-01 EP disclosed
WO-1996018888-A1 SEMICONDUCTING ORGANIC POLYMERS AROMASCAN PLC (GB) 1996-06-20 WO disclosed