SCHEMBL9016896

SCHEMBL9016896

O=S1(=O)Oc2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.50
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA12 O43570 1/20 0.36
USP2 O75604 1/20 0.36
CA1 P00915 1/20 0.36
LMNA P02545 1/20 0.36
BCHE P06276 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
KMT2A Q03164 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
HSP90AA1 P07900 1/20 0.35
KEAP1 Q14145 1/20 0.35

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
SCHEMBL29700304 1.00 GPR3 (0.50) GPR3CA2CA9KDM4ECA12
SCHEMBL30902546 0.81 GPR3 (0.40) GPR3KMT2AKEAP1
SCHEMBL1844394 0.81 GPR3 (0.40) GPR3KMT2AKEAP1
SCHEMBL30006698 0.77 GPR3 (0.48) GPR3CA2CA9KDM4ECA12
SCHEMBL111049 0.77 GPR3 (0.48) GPR3CA2CA9KDM4ECA12
SCHEMBL3380497 0.77 HSP90AA1 (0.40) GPR3CA2CA9KDM4ECA12
SCHEMBL12892713 0.74 GPR3 (0.44) GPR3CA2CA9KDM4ECA12
SCHEMBL2035129 0.69 GPR3 (0.36) GPR3
SCHEMBL6995287 0.69 GPR3 (0.39) GPR3CA2CA9KDM4ECA12
SCHEMBL29650610 0.68 TYMS (0.39) KDM4EBCHEKMT2A

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
US-5578478-A Recombinant DNA encoding a desulfurization biocatalyst ENERGY BIOSYSTEMS CORPORATION (US) 1996-11-26 US disclosed
US-5356801-A From Rhodococcus rhodochrous ENERGY BIOSYSTEMS CORPORATION (US) 1994-10-18 US disclosed
US-4003812-A Colloidal polysulfone electrodeposition compositions WESTINGHOUSE ELECTRIC CORPORATION (US) 1977-01-18 US disclosed