SCHEMBL13766293

SCHEMBL13766293

CCc1cccc(NC(=O)C2CCC(C)C2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
MAPT P10636 7/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
TP53 P04637 1/20 0.52
BRAF P15056 1/20 0.50
TDP1 Q9NUW8 1/20 0.49
RHOA P61586 1/20 0.48
HPGD P15428 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL18774005 0.89 SMN1; SMN2 (0.89) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL12172899 0.84 SMN1; SMN2 (0.60) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL21240932 0.83 SMN1; SMN2 (0.94) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL8298268 0.82 SMN1; SMN2 (0.97) SMN1; SMN2MAPTMEN1KMT2ATDP1
SCHEMBL21923174 0.80 SMN1; SMN2 (0.78) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL13841250 0.80 MAPT (0.63) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL15335818 0.80 MAPT (0.63) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL18265952 0.80 MAPT (0.63) SMN1; SMN2MAPTMEN1KMT2AHPGD
SCHEMBL21231330 0.80 SMN1; SMN2 (0.72) SMN1; SMN2MAPTMEN1KMT2ATP53
SCHEMBL18658114 0.77 SMN1; SMN2 (0.72) SMN1; SMN2MAPTMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7557110-B2 MAPKAP-K2; inflammatory disease, autoimmune disease, destructive bone disorder, cancer and/or tumour growth; 5-[(trans-4-aminocyclohexyl)amino]-3-fluoro-6-methyl(pyrazolo[1,5-a]pyri- midin-7-yl)}(4-iodophenyl)amine TEIJIN PHARMA LIMITED (JP) 2009-07-07 US disclosed