SCHEMBL8514285

SCHEMBL8514285

CC(C)(C)c1ccccc1NC1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.59
KDM4E B2RXH2 3/20 0.53
GAA P10253 3/20 0.53
MAPT P10636 1/20 0.53
IDO1 P14902 1/20 0.44
P2RY1 P47900 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
GRIN2D O15399 1/20 0.38
GRIN3B O60391 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2A Q12879 1/20 0.38
GRIN2B Q13224 1/20 0.38
GRIN2C Q14957 1/20 0.38
GRIN3A Q8TCU5 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL26422848 0.92 LMNA (0.50) LMNAKDM4EGAAMAPTIDO1
SCHEMBL25009716 0.84 KDM4E (0.53) LMNAKDM4EGAAMAPTIDO1
SCHEMBL82951 0.84 BRD4 (0.47) LMNAKDM4EGAAMAPTMEN1
SCHEMBL25039341 0.84 LMNA (0.44) LMNAKDM4EGAAMAPTGRIN2D
SCHEMBL15163867 0.84 LMNA (0.44) LMNAKDM4EGAAMAPTGRIN2D
Hydrochloric Acid SCHEMBL69480 0.83 BRD4 (0.46) LMNAKDM4EGAAMAPTMEN1
SCHEMBL3105796 0.80 LMNA (0.47) LMNAKDM4EGAAKMT2AGRIN2D
SCHEMBL11521138 0.80 KDM4E (0.69) LMNAKDM4EGAAMAPTIDO1
SCHEMBL24786811 0.79 LMNA (0.50) LMNAKDM4EGAAMAPTIDO1
SCHEMBL20336230 0.78 KDM4E (0.73) LMNAKDM4EGAAMAPTIDO1

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
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 WO disclosed