SCHEMBL2168355

SCHEMBL2168355

CC(C)(C)c1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(C3=CCOCC3)nc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
TP53 P04637 2/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 1/20 0.33
BTK Q06187 2/20 0.33
KDM5A P29375 1/20 0.31
ABL1 P00519 1/20 0.31
BCR P11274 1/20 0.31
ITK Q08881 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
STAT3 P40763 1/20 0.30
HDAC8 Q9BY41 1/20 0.30

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
SCHEMBL18887323 0.88 LMNA (0.32) LMNATP53POLBMAPTBTK
SCHEMBL2167838 0.85 MAPT (0.35) LMNATP53POLBMAPTBTK
SCHEMBL2168910 0.83 SMN1; SMN2 (0.42) LMNATP53POLBMAPTSMN1; SMN2
SCHEMBL2167362 0.82 HRH3 (0.41) LMNATP53POLBMAPTSMN1; SMN2
SCHEMBL2167567 0.81 SMN1; SMN2 (0.36) LMNATP53POLBMAPTBTK
SCHEMBL2169831 0.80 HPGD (0.40) LMNATP53POLBMAPTSMN1; SMN2
SCHEMBL2171193 0.80 HPGD (0.39) LMNATP53POLBMAPTSMN1; SMN2
SCHEMBL2168080 0.80 POLB (0.36) LMNATP53POLBMAPTKDM5A
SCHEMBL2170222 0.79 MAPT (0.39) LMNATP53POLBMAPTSMN1; SMN2
SCHEMBL2169211 0.79 ITK (0.38) LMNATP53POLBMAPTABL1

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
JP-4732354-B2 2011-07-27 JP claimed