SCHEMBL19239019

SCHEMBL19239019

CC1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CCN1C(=O)CC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
TSHR P16473 2/20 0.48
HSD11B1 P28845 7/20 0.47
ACHE P22303 1/20 0.46
ALDH1A1 P00352 2/20 0.46
PKM P14618 1/20 0.46
GPR183 P32249 1/20 0.45

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
SCHEMBL19239020 0.89 TSHR (0.61) POLBLMNAGAAKMT2AMEN1
SCHEMBL763799 0.85 HSD11B1 (0.53) POLBLMNAGAAKMT2AMEN1
SCHEMBL751898 0.85 HSD11B1 (0.53) POLBLMNAGAAKMT2AMEN1
SCHEMBL751771 0.80 HSD11B1 (0.54) HSD11B1ALDH1A1
SCHEMBL752526 0.80 POLB (0.62) POLBLMNAGAAKMT2AMEN1
SCHEMBL754186 0.78 ACHE (0.58) POLBLMNAGAAKMT2AMEN1
SCHEMBL15249010 0.72 HSD11B1 (0.61) POLBLMNAGAAKMT2AMEN1
SCHEMBL762993 0.72 ALDH1A1 (0.51) POLBLMNAGAAKMT2AMEN1
SCHEMBL751891 0.72 ALDH1A1 (0.51) POLBLMNAGAAKMT2AMEN1
SCHEMBL752834 0.71 LMNA (0.63) POLBLMNAGAAKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed
US-20170234881-A1 METHODS OF DIAGNOSING AND TREATING CANCER INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2017-08-17 US disclosed