SCHEMBL9873233

SCHEMBL9873233

CC(=NNc1nc(C)cc(C2CC2)n1)c1cc(C)ccc1C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.42
MEN1 O00255 5/20 0.42
KMT2A Q03164 5/20 0.42
HTT P42858 5/20 0.39
MAPT P10636 5/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 3/20 0.36
CYP2D6 P10635 1/20 0.34
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
POLB P06746 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
APEX1 P27695 1/20 0.33

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
SCHEMBL9873226 1.00 GAA (0.42) GAAMEN1KMT2AHTTMAPT
SCHEMBL9873207 0.93 GAA (0.45) GAAMEN1KMT2AHTTMAPT
SCHEMBL9873201 0.93 GAA (0.45) GAAMEN1KMT2AHTTMAPT
SCHEMBL9871750 0.89 MEN1 (0.48) GAAMEN1KMT2AHTTMAPT
SCHEMBL9871744 0.89 MEN1 (0.48) GAAMEN1KMT2AHTTMAPT
SCHEMBL11149369 0.86 GAA (0.55) GAAMEN1KMT2AHTTMAPT
SCHEMBL11149364 0.86 GAA (0.55) GAAMEN1KMT2AHTTMAPT
SCHEMBL9873480 0.80 GAA (0.47) GAAMEN1KMT2AHTTMAPT
SCHEMBL9872248 0.80 MEN1 (0.46) GAAMEN1KMT2AHTTMAPT
SCHEMBL9872244 0.80 MEN1 (0.46) GAAMEN1KMT2AHTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US claimed
EP-0362135-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-04-04 EP claimed
US-5010082-A Fungicides, microbiocides CIBA-GEIGY CORPORATION (US) 1991-04-23 US disclosed