SCHEMBL8600862

SCHEMBL8600862

CC=CCC1Cc2ccc(Br)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 7/20 0.47
ACHE P22303 4/20 0.36
PBRM1 Q86U86 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TDP2 O95551 1/20 0.35
PARP1 P09874 1/20 0.35
PARP10 Q53GL7 1/20 0.35
ADRA2A P08913 1/20 0.33
PNMT P11086 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
CMA1 P23946 1/20 0.33
AHR P35869 1/20 0.33

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
SCHEMBL8874447 1.00 METAP1 (0.47) METAP1ACHEPBRM1TDP1L3MBTL1
SCHEMBL8600861 1.00 METAP1 (0.47) METAP1ACHEPBRM1TDP1L3MBTL1
SCHEMBL7889589 0.86 METAP1 (0.45) METAP1ACHEPBRM1TDP1L3MBTL1
SCHEMBL8596188 0.86 CYP19A1 (0.43) METAP1ACHEPBRM1
SCHEMBL8596190 0.86 CYP19A1 (0.43) METAP1ACHEPBRM1
SCHEMBL8874593 0.86 CYP19A1 (0.43) METAP1ACHEPBRM1
SCHEMBL8873299 0.84 METAP1 (0.59) METAP1ACHEPARP1PARP10
SCHEMBL8595392 0.84 METAP1 (0.59) METAP1ACHEPARP1PARP10
SCHEMBL8595390 0.84 METAP1 (0.59) METAP1ACHEPARP1PARP10
SCHEMBL8600959 0.84 METAP1 (0.50) METAP1ACHEPBRM1TDP1L3MBTL1

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-0657426-B1 Tricyclic pyrrole derivatives HOFFMANN LA ROCHE (CH) 1998-07-22 EP disclosed
US-5646173-A ANTISEROTONINE AGENTS; CENTRAL NERVOUS SYSTEM DISORDERS; ANTIDEPRESSANTS HOFFMANN-LA ROCHE INC. (US) 1997-07-08 US disclosed
EP-0657426-A2 Tricyclic pyrrole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1995-06-14 EP disclosed