SCHEMBL9874385

SCHEMBL9874385

CC(=NNc1nc(CF)cc(C2CC2)n1)c1ccccc1C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 3/20 0.35
MAPT P10636 7/20 0.34
GAA P10253 7/20 0.34
LMNA P02545 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
POLB P06746 2/20 0.34
TP53 P04637 2/20 0.34
HTT P42858 4/20 0.34
CRACR2A Q9BSW2 1/20 0.34
KDM4E B2RXH2 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 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
SCHEMBL9874381 1.00 MEN1 (0.37) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9871750 0.86 MEN1 (0.48) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9871744 0.86 MEN1 (0.48) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9873203 0.85 MEN1 (0.46) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9873198 0.85 MEN1 (0.46) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9873233 0.76 GAA (0.42) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9873226 0.76 GAA (0.42) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9873476 0.75 GAA (0.47) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9872248 0.75 MEN1 (0.46) MEN1KMT2ARAB9ANPC1ALDH1A1
SCHEMBL9873480 0.75 GAA (0.47) MEN1KMT2ARAB9ANPC1ALDH1A1

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