SCHEMBL1668655

SCHEMBL1668655

CC(C)(C)c1cc(Nc2ncnc(S)n2)cc(C(C)(C)C)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
GAA P10253 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
POLB P06746 1/20 0.37
TYR P14679 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALOX15 P16050 2/20 0.34
HPN P05981 1/20 0.34
MAPT P10636 1/20 0.34
SIRT5 Q9NXA8 1/20 0.34
MEN1 O00255 1/20 0.34
GMNN O75496 1/20 0.34
GABBR2 O75899 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
Octane SCHEMBL7523713 0.91 NR5A2 (0.35) ALDH1A1GAATDP1CA2CA1
SCHEMBL6131350 0.89 ALDH1A1 (0.46) ALDH1A1GAATDP1CA2CA1
SCHEMBL11613891 0.84 ALDH1A1 (0.45) ALDH1A1GAATDP1CA2CA1
SCHEMBL3126822 0.80 ALDH1A1 (0.46) ALDH1A1GAATDP1CA2CA1
SCHEMBL13142359 0.76 GAA (0.38) ALDH1A1GAATDP1CA2CA1
Octane SCHEMBL38966 0.76 ALDH1A1 (0.38) ALDH1A1GAATDP1CA2CA1
SCHEMBL9841885 0.74 ALDH1A1 (0.47) ALDH1A1GAATDP1CA2CA1
SCHEMBL28932206 0.74 GAA (0.34) ALDH1A1GAATDP1CA2CA1
SCHEMBL9842110 0.73 SYK (0.44) ALDH1A1GAATDP1CA2CA1
SCHEMBL18459329 0.73 CA2 (0.61) ALDH1A1GAATDP1CA2CA1

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-2488578-A1 STABILISER COMBINATIONS FOR HALOGENATED POLYMERS IKA Innovative Kunststoffaufbereitung GmbH&Co. KG (DE) 2012-08-22 EP disclosed
WO-2011045168-A1 STABILISER COMBINATIONS FOR HALOGENATED POLYMERS IKA INNOVATIVE KUNSTSTOFFAUFBEREITUNG GMBH & CO. KG (DE) 2011-04-21 WO disclosed