SCHEMBL8942911

SCHEMBL8942911

C=COS(=O)(=O)Cc1ccccc1.C=Cc1ccccc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
TSHR P16473 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
PRSS1 P07477 3/20 0.33
PRSS2 P07478 3/20 0.33
PRSS3 P35030 3/20 0.33
HTT P42858 2/20 0.33
FAAH O00519 1/20 0.33
ELANE P08246 1/20 0.33
PRTN3 P24158 1/20 0.33
CA5A P35218 1/20 0.33
CA9 Q16790 1/20 0.33
TDP1 Q9NUW8 2/20 0.33

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
SCHEMBL88529 0.82 KMT2A (0.55) KMT2ATSHRSMN1; SMN2CA1CA2
Ammonia Solution, Strong SCHEMBL28159632 0.81 KMT2A (0.53) KMT2ATSHRSMN1; SMN2CA1CA2
SCHEMBL9615834 0.81 KMT2A (0.53) KMT2ATSHRSMN1; SMN2CA1CA2
Ammonia Solution, Strong SCHEMBL28024303 0.81 KMT2A (0.53) KMT2ATSHRSMN1; SMN2CA1CA2
Hydrochloric Acid SCHEMBL27583500 0.81 KMT2A (0.53) KMT2ATSHRSMN1; SMN2CA1CA2
SCHEMBL30544516 0.79 TSHR (0.39) KMT2ATSHRSMN1; SMN2HTTTDP1
SCHEMBL29361804 0.79 TDP1 (0.44) KMT2ATSHRSMN1; SMN2HTTTDP1
SCHEMBL15000 0.79 TDP1 (0.44) KMT2ATSHRSMN1; SMN2HTTTDP1
Benzene SCHEMBL11665509 0.77 TDP1 (0.41) TSHRSMN1; SMN2HTTTDP1ALDH1A1
SCHEMBL1888655 0.77 TDP1 (0.43) KMT2ATSHRSMN1; SMN2HTTTDP1

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