SCHEMBL16063769

SCHEMBL16063769

O=C(CI)c1ccc(-c2nnco2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 8/20 0.50
▸ TSHR P16473 2/20 0.48
▸ MAPT P10636 2/20 0.47
▸ ESR1 P03372 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TP53 P04637 1/20 0.44
▸ GSK3B P49841 1/20 0.44
▸ TLR8 Q9NR97 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL69432 0.80 NOTUM (0.60) NOTUMTSHRMAPTL3MBTL1TP53
SCHEMBL27228706 0.78 NOTUM (0.55) NOTUMTSHRMAPTHPGDL3MBTL1
SCHEMBL17694561 0.76 NOTUM (0.78) NOTUMTSHRMAPTHPGDTP53
SCHEMBL22312193 0.74 TSHR (0.55) NOTUMTSHRMAPTESR1POLB
SCHEMBL2610163 0.74 NOTUM (0.75) NOTUMTSHRMAPTHPGDTP53
SCHEMBL10020269 0.72 GSK3B (0.76) TSHRMAPTPOLBHPGDL3MBTL1
SCHEMBL3685411 0.71 NOTUM (0.64) NOTUMTSHRMAPTHPGDTP53
SCHEMBL860256 0.71 NOTUM (0.64) NOTUMTSHRMAPTHPGDL3MBTL1
SCHEMBL19976499 0.69 MLYCD (0.46) NOTUMTSHR
SCHEMBL29236054 0.69 NOTUM (0.56) NOTUMTSHRMAPTESR1POLB

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
WO-2014139008-A1 SMALL MOLECULE MODULATORS OF PCSK9 AND METHODS OF USE THEREOF ADAERATA, LIMITED PARTNERSHIP (CA) 2014-09-18 — — WO disclosed
Send feedback