SCHEMBL9873480

SCHEMBL9873480

CC(=NNc1nc(C)cc(C2CC2)n1)c1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 5/20 0.43
MAPT P10636 6/20 0.42
HTT P42858 5/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.42
NPC1 O15118 4/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.38
MDM4 O15151 1/20 0.38
MDM2 Q00987 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL9873476 1.00 GAA (0.47) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL9871750 0.88 MEN1 (0.48) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL9871744 0.88 MEN1 (0.48) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL9872244 0.86 MEN1 (0.46) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL9872248 0.86 MEN1 (0.46) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL9873207 0.80 GAA (0.45) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL9873233 0.80 GAA (0.42) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL9873226 0.80 GAA (0.42) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL9873201 0.80 GAA (0.45) GAAMEN1KMT2ARAB9AMAPT
SCHEMBL9874559 0.77 KMT2A (0.45) GAAMEN1KMT2ARAB9AMAPT

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 4 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
EP-0362135-A2 Parasiticide CIBA-GEIGY AG (CH) 1990-04-04 EP disclosed