SCHEMBL8942904

SCHEMBL8942904

C=CC(c1ccccc1)S(=O)(=O)O.C=Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
SRC P12931 1/20 0.37
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 4/20 0.33
KDM4E B2RXH2 1/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
PMP22 Q01453 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP2C19 P33261 1/20 0.31
MYC P01106 1/20 0.30
MAPK1 P28482 1/20 0.30
TTR P02766 1/20 0.30
FABP4 P15090 1/20 0.30

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
SCHEMBL88528 0.84 SRC (0.48) ALDH1A1SRCTDP1LMNAKDM4E
Ammonia Solution, Strong SCHEMBL28159633 0.82 SRC (0.47) ALDH1A1SRCTDP1LMNAKDM4E
SCHEMBL10889949 0.82 SRC (0.47) ALDH1A1SRCTDP1LMNAKDM4E
Ammonia Solution, Strong SCHEMBL9066051 0.82 SRC (0.47) ALDH1A1SRCTDP1LMNAKDM4E
SCHEMBL15000 0.82 TDP1 (0.44) ALDH1A1TDP1LMNAKMT2ATSHR
SCHEMBL29361804 0.82 TDP1 (0.44) ALDH1A1TDP1LMNAKMT2ATSHR
Benzene SCHEMBL11665509 0.81 TDP1 (0.41) ALDH1A1TDP1KDM4EPOLBMAPT
SCHEMBL332205 0.81 TDP1 (0.43) ALDH1A1TDP1LMNAKMT2ATSHR
SCHEMBL313313 0.81 TDP1 (0.43) ALDH1A1TDP1LMNAKMT2ATSHR
SCHEMBL6131308 0.81 TDP1 (0.43) ALDH1A1TDP1LMNAKMT2ATSHR

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-5550003-A CONTAINS A HYDRAZINE DERIVATIVE, A RHODIUM COMPOUND AND AT LEAST ONE COMPOUND SELECTED FROM COLLOIDAL SILICA AND POLYACRYLAMIDE DERIVATIVES FUJI PHOTO FILM CO., LTD. (JP) 1996-08-27 US disclosed