SCHEMBL7317643

SCHEMBL7317643

CCOC(=O)c1ccc(-c2cnc3sc(-c4ccc(O)cc4)nn23)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 11/20 0.55
MKNK2 Q9HBH9 10/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ESR1 P03372 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
ESR2 Q92731 1/20 0.52
CA14 Q9ULX7 1/20 0.52
RARA P10276 1/20 0.46
RARB P10826 1/20 0.46
RARG P13631 1/20 0.46
IDO1 P14902 2/20 0.44
FYN P06241 1/20 0.43
CDC7 O00311 1/20 0.42
DBF4 Q9UBU7 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL6132537 0.84 MKNK1 (0.52) MKNK1MKNK2IDO1FYNMAPT
SCHEMBL7322460 0.82 MKNK1 (0.53) MKNK1MKNK2CA12CA1CA2
SCHEMBL7350299 0.79 HRH3 (0.65) MKNK1MKNK2ESR1ESR2
SCHEMBL7326365 0.79 HRH3 (0.64) MKNK1MKNK2ESR1ESR2
SCHEMBL6134597 0.79 MKNK1 (0.48) MKNK1MKNK2RARARARBRARG
SCHEMBL7312737 0.79 HRH3 (0.64) MKNK1MKNK2ESR1ESR2
SCHEMBL7324143 0.78 HRH3 (0.53) MKNK1MKNK2ESR1ESR2
SCHEMBL7326853 0.77 MKNK1 (0.57) MKNK1MKNK2MAPT
SCHEMBL6134929 0.77 MKNK1 (0.47) MKNK1MKNK2
SCHEMBL6135144 0.77 MKNK1 (0.47) MKNK1MKNK2FYN

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