SCHEMBL11096552

SCHEMBL11096552

O=S(=O)(CCBr)Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA9 Q16790 4/20 0.48
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.40
PPARG P37231 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MEN1 O00255 1/20 0.39
MMP3 P08254 2/20 0.39
LTA4H P09960 1/20 0.39
TSHR P16473 1/20 0.39
MMP1 P03956 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
SOS1 Q07889 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38

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
SCHEMBL28423404 0.98 KMT2A (0.55) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL779566 0.87 KMT2A (0.72) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL29453015 0.85 KMT2A (0.69) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL29365117 0.85 KMT2A (0.69) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL11979472 0.83 KMT2A (0.61) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL6254451 0.83 KMT2A (0.61) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL10558506 0.81 KMT2A (0.59) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL249114 0.79 KMT2A (0.57) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL5805051 0.79 KMT2A (0.57) KMT2ACA1CA2CA9ALDH1A1
SCHEMBL5805047 0.79 KMT2A (0.57) KMT2ACA1CA2CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105960393-B Lithium styrene sulfonate 东曹株式会社 2021-02-02 CN claimed
CN-105960393-B Lithium styrene sulfonate 东曹株式会社 2021-02-02 CN disclosed
US-4478598-A FOR TEXTILES AND IN LAUNDRY DETERGENTS CIBA-GEIGY CORPORATION (US) 1984-10-23 US disclosed