SCHEMBL9874559

SCHEMBL9874559

CC(=NNc1nc(C)cc(C2CC2)n1)c1c(C)cc(C)c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 3/20 0.42
GAA P10253 7/20 0.40
LMNA P02545 6/20 0.40
HTT P42858 5/20 0.40
MAPT P10636 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
NPC1 O15118 2/20 0.40
ALDH1A1 P00352 2/20 0.40
POLB P06746 2/20 0.36
PAX8 Q06710 1/20 0.35
TP53 P04637 1/20 0.34
KDM4E B2RXH2 2/20 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
SCHEMBL9871772 0.88 MEN1 (0.44) KMT2AMEN1RAB9AGAALMNA
SCHEMBL9871744 0.81 MEN1 (0.48) KMT2AMEN1RAB9AGAALMNA
SCHEMBL9871750 0.81 MEN1 (0.48) KMT2AMEN1RAB9AGAALMNA
SCHEMBL9873480 0.77 GAA (0.47) KMT2AMEN1RAB9AGAALMNA
SCHEMBL9872244 0.77 MEN1 (0.46) KMT2AMEN1RAB9AGAALMNA
SCHEMBL9872248 0.77 MEN1 (0.46) KMT2AMEN1RAB9AGAALMNA
SCHEMBL9873476 0.77 GAA (0.47) KMT2AMEN1RAB9AGAALMNA
SCHEMBL9873233 0.76 GAA (0.42) KMT2AMEN1RAB9AGAALMNA
SCHEMBL9873207 0.76 GAA (0.45) KMT2AMEN1RAB9AGAALMNA
SCHEMBL9873226 0.76 GAA (0.42) KMT2AMEN1RAB9AGAALMNA

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