SCHEMBL17565784

SCHEMBL17565784

O=S(=O)(O)c1ccc(Nc2cc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccc(S(=O)(=O)O)cc6)nc(N6CCOCC6)n5)cc4S(=O)(=O)O)c(S(=O)(=O)O)c3)cc(N3CCOCC3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 8/20 0.52
CA1 P00915 8/20 0.52
CA2 P00918 8/20 0.52
CA9 Q16790 8/20 0.52
MAPT P10636 3/20 0.46
PTGS2 P35354 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 2/20 0.43
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL17565755 0.94 CA12 (0.55) CA12CA1CA2CA9MAPT
SCHEMBL2206035 0.94 CA12 (0.58) CA12CA1CA2CA9MAPT
SCHEMBL26134061 0.93 CA12 (0.57) CA12CA1CA2CA9MAPT
SCHEMBL16363738 0.90 CA12 (0.64) CA12CA1CA2CA9MAPT
SCHEMBL2221311 0.89 CA12 (0.58) CA12CA1CA2CA9MAPT
SCHEMBL5955347 0.88 CA12 (0.63) CA12CA1CA2CA9MAPT
SCHEMBL5382397 0.88 CA12 (0.63) CA12CA1CA2CA9MAPT
SCHEMBL2203214 0.88 CA12 (0.57) CA12CA1CA2CA9MAPT
SCHEMBL8411932 0.87 LMNA (0.60) CA12CA1CA2CA9MAPT
SCHEMBL461641 0.87 CA12 (0.61) CA12CA1CA2CA9MAPT

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-20160072098-A1 PHOTO-CURING COMPOSITION AND ENCAPSULATED DEVICE COMPRISING SAME SAMSUNG SDI CO., LTD. (KR) 2016-03-10 US disclosed