SCHEMBL9548208

SCHEMBL9548208

CC(Cl)S(=O)(=O)c1cccc(NC(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)cc(O)c23)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 1/20 0.51
PRMT1 Q99873 1/20 0.47
CA2 P00918 11/20 0.46
CA9 Q16790 11/20 0.46
CA12 O43570 9/20 0.46
CA1 P00915 9/20 0.46
CASR P41180 2/20 0.44
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.41
CA4 P22748 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL6562298 0.82 APEX1 (0.54) APEX1PRMT1CA2CA9CA12
SCHEMBL6559697 0.82 APEX1 (0.51) APEX1PRMT1CA2CA9CA12
SCHEMBL11689238 0.78 APEX1 (0.74) APEX1PRMT1CA2CA9CA12
SCHEMBL11590673 0.78 APEX1 (0.74) APEX1PRMT1CA2CA9CA12
SCHEMBL10901189 0.78 APEX1 (0.68) APEX1PRMT1CA2CA9CA12
SCHEMBL14107314 0.78 APEX1 (0.72) APEX1PRMT1MAPTLMNAPOLB
SCHEMBL11590648 0.78 APEX1 (0.72) APEX1PRMT1CA2CA9CA12
SCHEMBL14107310 0.78 APEX1 (0.72) APEX1PRMT1MAPTLMNAPOLB
SCHEMBL10823537 0.75 PRMT1 (0.52) APEX1PRMT1CA2CA9CA12
SCHEMBL10823523 0.73 MAPT (0.49) APEX1PRMT1CA2CA9CA12

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-5231172-A Water solubility HOECHST AKTIENGESELLSCHAFT (DE) 1993-07-27 US disclosed