SCHEMBL5738232

SCHEMBL5738232

CC(Br)(C(N)=O)c1cc(N)ccc1OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
CYP19A1 P11511 2/20 0.46
FOLH1 Q04609 1/20 0.45
SMPD1 P17405 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
MAOB P27338 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL27532762 0.82 CYP19A1 (0.48) RXRARXRBRXRGCYP19A1CYP11B1
SCHEMBL5735902 0.80 BRD4 (0.48) HDAC6SMN1; SMN2MAOBMAPTMAOA
SCHEMBL6675702 0.79 CYP2C9 (0.43) RXRARXRBRXRGCYP19A1SMPD1
SCHEMBL656838 0.77 MRGPRX4 (0.50) RXRARXRBRXRGCYP19A1CYP11B1
SCHEMBL448625 0.76 RXRA (0.59) RXRARXRBRXRGL3MBTL1MAPT
SCHEMBL8028726 0.75 CYP19A1 (0.52) RXRARXRBRXRGCYP19A1CYP11B1
SCHEMBL19404699 0.75 ALOX5AP (0.61) RXRARXRBRXRGCYP19A1CYP11B1
SCHEMBL2062891 0.74 SMPD1 (0.56) CYP19A1SMPD1HDAC1HDAC8HDAC6
SCHEMBL5659691 0.73 MAOB (0.58) CYP19A1CYP11B1CYP11B2RAB9ASMN1; SMN2
SCHEMBL1316136 0.73 HPGD (0.51) CYP19A1FOLH1SMPD1HDAC1HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549309-A4 SOMATOSTATIN ANALOGUE COMPOUNDS CHEMBRIDGE RES LAB INC (US) 2006-05-17 EP disclosed
EP-1549309-A2 SOMATOSTATIN ANALOGUE COMPOUNDS ChemBridge Research Laboratories, Inc. (US) 2005-07-06 EP disclosed
WO-2003090677-A2 SOMATOSTATIN ANALOGUE COMPOUNDS CHEMBRIDGE RESEARCH LAB., LLC (US) 2003-11-06 WO disclosed