SCHEMBL11634337

SCHEMBL11634337

O=C(O)c1ccc2c(c1)[S+]([O-])c1ccc([N+](=O)[O-])cc1C2

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.43
▸ SRD5A2 P31213 2/20 0.43
▸ MEN1 O00255 5/20 0.42
▸ KMT2A Q03164 5/20 0.42
▸ LMNA P02545 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TLR9 Q9NR96 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ AKR1C3 P42330 2/20 0.41
▸ ESPL1 Q14674 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ TTR P02766 1/20 0.39
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL10623584 0.80 SRD5A2 (0.40) TP53SRD5A2MAPTRAB9ACA12
SCHEMBL472544 0.79 MEN1 (0.45) HSP90AA1MEN1KMT2ALMNAMAPT
SCHEMBL1702198 0.79 SRD5A2 (0.55) SRD5A2KMT2ACA12CA9AKR1C3
SCHEMBL10800979 0.77 ACHE (0.42) TDP1MEN1KMT2ALMNAMAPT
SCHEMBL11634000 0.77 KDM4E (0.49) TP53SRD5A2MEN1KMT2AMAPT
SCHEMBL11632026 0.77 ALDH1A1 (0.44) SRD5A2MEN1KMT2AMAPTRAB9A
SCHEMBL8086579 0.76 MEN1 (0.45) HSP90AA1MEN1KMT2ALMNAMAPT
SCHEMBL3634185 0.76 SRD5A2 (0.55) SRD5A2KMT2AMAPTAKR1C3TTR
SCHEMBL11011874 0.75 TDP1 (0.47) TDP1TP53SRD5A2MEN1KMT2A
SCHEMBL11160025 0.75 ACHE (0.46) TDP1MEN1KMT2ALMNAMAPT

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
US-4103015-A TRICYCLIC THIOXANTHONE-10,10-DIOXIDES BURROUGHS WELLCOME CO. (US) 1978-07-25 — — US disclosed
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