SCHEMBL7318285

SCHEMBL7318285

COCCCCCCCOc1ccc(-c2nn3cc(-c4ccc(C(=O)OC)cc4)nc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.51
CA1 P00915 7/20 0.51
CA2 P00918 7/20 0.51
CA9 Q16790 7/20 0.51
TP53 P04637 5/20 0.46
MAPT P10636 7/20 0.44
F2RL3 Q96RI0 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
LMNA P02545 1/20 0.41
RAB9A P51151 1/20 0.41
TLR8 Q9NR97 1/20 0.41

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
SCHEMBL7321691 1.00 CA12 (0.51) CA12CA1CA2CA9TP53
SCHEMBL7324188 1.00 CA12 (0.51) CA12CA1CA2CA9TP53
SCHEMBL7324602 1.00 CA12 (0.51) CA12CA1CA2CA9TP53
SCHEMBL6132534 0.90 TP53 (0.50) CA12CA1CA2CA9TP53
SCHEMBL6132844 0.90 CA12 (0.53) CA12CA1CA2CA9TP53
Trifluoroacetic Acid SCHEMBL7323575 0.87 CA12 (0.46) CA12CA1CA2CA9TP53
SCHEMBL6132717 0.83 RARB (0.58) CA12CA1CA2CA9TP53
SCHEMBL6132173 0.82 HDAC3 (0.51) CA12CA1CA2CA9TP53
SCHEMBL7326102 0.82 RARB (0.56) CA12CA1CA2CA9TP53
SCHEMBL7324198 0.80 MKNK1 (0.61) MAPTSMN1; SMN2RAB9A

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-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed