SCHEMBL9873207

SCHEMBL9873207

CC(=NNc1nc(C)cc(C2CC2)n1)c1ccc(C)cc1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 7/20 0.45
MAPT P10636 7/20 0.43
KMT2A Q03164 6/20 0.43
HTT P42858 5/20 0.43
MEN1 O00255 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
RAB9A P51151 3/20 0.41
LMNA P02545 5/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.36
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 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
SCHEMBL9873201 1.00 GAA (0.45) GAAMAPTKMT2AHTTMEN1
SCHEMBL9873226 0.93 GAA (0.42) GAAMAPTKMT2AHTTMEN1
SCHEMBL9873233 0.93 GAA (0.42) GAAMAPTKMT2AHTTMEN1
SCHEMBL9871744 0.87 MEN1 (0.48) GAAMAPTKMT2AHTTMEN1
SCHEMBL9871750 0.87 MEN1 (0.48) GAAMAPTKMT2AHTTMEN1
SCHEMBL9872248 0.80 MEN1 (0.46) GAAMAPTKMT2AHTTMEN1
SCHEMBL9873480 0.80 GAA (0.47) GAAMAPTKMT2AHTTMEN1
SCHEMBL9872244 0.80 MEN1 (0.46) GAAMAPTKMT2AHTTMEN1
SCHEMBL9873476 0.80 GAA (0.47) GAAMAPTKMT2AHTTMEN1
SCHEMBL11149364 0.78 GAA (0.55) GAAMAPTKMT2AHTTMEN1

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