SCHEMBL11130954

SCHEMBL11130954

COc1ccc(S(=O)(=O)n2nc(C)nc2C)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ MEN1 O00255 2/20 0.53
▸ KDM4E B2RXH2 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ RAB9A P51151 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ PKLR P30613 1/20 0.50
▸ POLB P06746 2/20 0.47
▸ HTT P42858 1/20 0.46
▸ MMP2 P08253 1/20 0.46
▸ TSHR P16473 1/20 0.46

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
SCHEMBL29596954 0.69 POLB (0.60) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL28720776 0.69 ALDH1A1 (0.56) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL31315853 0.67 PKM (1.00) MAPTKMT2AKDM4EALDH1A1RAB9A
SCHEMBL1722721 0.67 PKM (1.00) MAPTKMT2AKDM4EALDH1A1RAB9A
SCHEMBL25256191 0.66 KMT2A (0.46) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL31051613 0.66 CA12 (0.46) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL21888965 0.66 MEN1 (0.37) KMT2AMEN1KDM4EPOLBTSHR
SCHEMBL6108870 0.66 PKM (0.67) ALDH1A1RAB9APKMNPC1PKLR
SCHEMBL67837 0.66 PKM (0.67) ALDH1A1RAB9APKMNPC1PKLR
SCHEMBL13074716 0.65 PKM (1.00) MAPTALDH1A1RAB9APKMNPC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0009998-B1 PEROXYGEN CONTAINING COMPOSITIONS AND BLEACHING PROCESS FMC Corporation (US) 1984-03-14 — — EP disclosed
US-4230591-A Peroxygen bleaching and compositions therefor FMC CORPORATION (US) 1980-10-28 — — US disclosed
US-4207070-A Peroxygen bleaching and compositions therefor FMC CORPORATION (US) 1980-06-10 — — US disclosed
EP-0009998-A1 Peroxygen containing compositions and bleaching process FMC Corporation (US) 1980-04-16 — — EP disclosed
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