SCHEMBL7594682

SCHEMBL7594682

CC(C)(C)[Si](C)(C)Oc1ccc2cc(OCc3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 14/20 0.41
CA12 O43570 4/20 0.39
CA1 P00915 4/20 0.39
CA9 Q16790 4/20 0.39
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
MAPT P10636 1/20 0.37
NFKB1 P19838 1/20 0.37
RAB9A P51151 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX5AP P20292 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
SCHEMBL7818117 0.85 SIRT2 (0.44) SIRT2KDM4ENPC1MAPTNFKB1
SCHEMBL7844409 0.84 ALOX5 (0.52) SIRT2CA12CA1CA9NPC1
SCHEMBL1097103 0.81 SIRT2 (0.42) SIRT2MAPTNFKB1RAB9ASMN1; SMN2
SCHEMBL7831405 0.79 SIRT2 (0.35) SIRT2KDM4EMAPTALOX5AP
SCHEMBL6674214 0.78 KCNH2 (0.46) SIRT2
SCHEMBL7597443 0.77 MAOA (0.39) SIRT2CA12CA9
SCHEMBL7260656 0.77 CA12 (0.36) SIRT2CA12CA1CA9
SCHEMBL4024513 0.77 CA12 (0.38) SIRT2CA12CA1CA9KDM4E
SCHEMBL8543176 0.77 SIRT2 (0.40) SIRT2MAPTNFKB1RAB9ASMN1; SMN2
SCHEMBL7939506 0.76 SIRT2 (0.40) SIRT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1222174-A1 IMIDAZOL-4-YLMETHANOLS USED AS INHIBITORS OF STEROID C17-20 LYASE Takeda Chemical Industries, Ltd. (JP) 2002-07-17 EP disclosed
WO-2001030762-A1 IMIDAZOL-4-YLMETHANOLS USE AS INHIBITORS OF STEROID C17-20 LYASE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-03 WO disclosed