SCHEMBL6255181

SCHEMBL6255181

Cc1c([N+](=O)[O-])cccc1S(=O)(=O)OC1(C)CO1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 3/20 0.38
THRB P10828 1/20 0.36
PKM P14618 2/20 0.36
ATM Q13315 1/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ALPL P05186 1/20 0.36
ALPI P09923 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
NFKBIA P25963 1/20 0.36

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
SCHEMBL10482176 0.77 TDP1 (0.58) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL27609739 0.76 TDP1 (0.56) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL23575094 0.75 TDP1 (0.47) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL22288597 0.75 TDP1 (0.47) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL22445346 0.75 TDP1 (0.47) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL27568731 0.73 PRMT5 (0.58) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL27548998 0.73 PRMT5 (0.58) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL5082690 0.72 KMT2A (0.41) TDP1KMT2AMEN1POLBTHRB
SCHEMBL10700952 0.72 TDP1 (0.64) TDP1TSHRSMN1; SMN2KMT2AMEN1
SCHEMBL9356245 0.72 TDP1 (0.64) TDP1TSHRSMN1; SMN2KMT2AMEN1

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-1521757-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES AstraZeneca AB (SE) 2005-04-13 EP disclosed
WO-2004005295-A1 NOVEL TRICYCLIC SPIROPIPERIDINES OR SPIROPYRROLIDINES ASTRAZENECA AB (SE) 2004-01-15 WO disclosed