SCHEMBL11045446

SCHEMBL11045446

O=[N+]([O-])c1ccc2ccccc2c1S(=O)(=O)Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 2/20 0.54
ALDH1A1 P00352 1/20 0.53
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CASP6 P55212 1/20 0.42
CTSB P07858 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 1/20 0.41
PAX8 Q06710 1/20 0.40
HNF4A P41235 2/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HSP90AA1 P07900 1/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
PIN1 Q13526 1/20 0.38
RRM1 P23921 1/20 0.38
GSR P00390 1/20 0.38
TXNRD1 Q16881 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
SCHEMBL31132059 0.83 ALDH1A1 (0.53) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL669107 0.83 ALDH1A1 (0.53) HPRT1ALDH1A1TSHRTDP1CASP6
Water SCHEMBL11786583 0.82 ALDH1A1 (0.51) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL28467528 0.82 ALDH1A1 (0.51) HPRT1ALDH1A1TSHRTDP1CASP6
Hydrochloric Acid SCHEMBL11756177 0.82 ALDH1A1 (0.51) HPRT1ALDH1A1TSHRTDP1CASP6
Hydrochloric Acid SCHEMBL11756182 0.82 ALDH1A1 (0.51) HPRT1ALDH1A1TSHRTDP1CASP6
Bicarbonate SCHEMBL27497148 0.78 ALDH1A1 (0.47) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL28776957 0.76 TDP1 (0.52) ALDH1A1TSHRTDP1MEN1KMT2A
SCHEMBL27701222 0.76 ALDH1A1 (0.49) HPRT1ALDH1A1TSHRTDP1CASP6
SCHEMBL5071421 0.75 ALDH1A1 (0.60) HPRT1ALDH1A1TSHRTDP1CASP6

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
US-4438245-A FOR LIGHT SENSITIVE ELEMENTS FUJI PHOTO FILM CO., LTD. (JP) 1984-03-20 US disclosed
US-4060549-A Process for preparing sulfonic acid fluorides BAYER AKTIENGESELLSCHAFT (DT) 1977-11-29 US disclosed