SCHEMBL2853835

SCHEMBL2853835

ClC1[CH]c2ccccc2C1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.38
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CYP19A1 P11511 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
PNMT P11086 1/20 0.31
PLAU P00749 1/20 0.31
TSHR P16473 1/20 0.31
PARP1 P09874 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
SCHEMBL18243384 0.77 PLAU (0.38) IDO1CYP11B2PLAUTSHR
SCHEMBL28139148 0.77 PARP1 (0.36) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL6143052 0.71 IDO1 (0.43) IDO1PLAU
SCHEMBL22554804 0.71 CYP19A1 (0.39) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL1702930 0.71 CYP19A1 (0.39) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL23457245 0.71 IDO1 (0.38) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL583647 0.71 IDO1 (0.38) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL151547 0.71 IDO1 (0.38) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL17765425 0.71 IDO1 (0.38) IDO1KDM4EL3MBTL1CYP19A1CYP11B1
SCHEMBL1040813 0.71 IDO1 (0.38) IDO1KDM4EL3MBTL1CYP19A1CYP11B1

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
WO-2010047826-A2 DOSING REGIMENS AND DOSAGE FORMULATIONS OF AN ANTIVIRAL PEPTIDE THERAPEUTIC TRIMERIS, INC. (US) 2010-04-29 WO disclosed
CN-1898254-A New coupling agents for peptide synthesis UNIV MASSACHUSETTS (US) 2007-01-17 CN disclosed