SCHEMBL8535309

SCHEMBL8535309

C=C1c2cc(Br)ccc2OC2CCN(C(=O)O)CC12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.35
AR P10275 1/20 0.33
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.31
PKM P14618 1/20 0.31
CYP19A1 P11511 1/20 0.30
OPRM1 P35372 1/20 0.30
AKR1B1 P15121 1/20 0.30
CCR1 P32246 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
SCHEMBL6670085 0.83 OPRM1 (0.37) KMT2AALDH1A1PKMOPRM1AKR1B1
SCHEMBL8538861 0.83 SMN1; SMN2 (0.45) KMT2AMEN1
SCHEMBL10237752 0.81 PBRM1 (0.38) PBRM1AROPRM1
SCHEMBL9932579 0.74 PBRM1 (0.40) PBRM1ARKMT2AMEN1ALDH1A1
SCHEMBL8535428 0.74 PBRM1 (0.40) PBRM1ARKMT2AMEN1ALDH1A1
SCHEMBL7674281 0.73 KDR (0.33) PKM
SCHEMBL9882137 0.71 BACE1 (0.38) PBRM1ARKMT2AMEN1CYP19A1
SCHEMBL8534011 0.71 BACE1 (0.38) PBRM1ARKMT2AMEN1CYP19A1
SCHEMBL8534008 0.71 BACE1 (0.38) PBRM1ARKMT2AMEN1CYP19A1
SCHEMBL9932272 0.70 DRD4 (0.41) KMT2AMEN1

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-2012071458-A1 HETEROCYCLIC INHIBITORS OF BETA - SECRETASE FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2012-05-31 WO disclosed