SCHEMBL7038529

SCHEMBL7038529

O=C(CCCl)Cc1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.47
CTBP2 P56545 1/20 0.46
VNN1 O95497 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
POLB P06746 2/20 0.43
APEX1 P27695 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
EGFR P00533 3/20 0.42
ERBB2 P04626 3/20 0.42
ALDH1A1 P00352 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 2/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL7359518 0.87 VNN1 (0.45) GAACTBP2VNN1TDP1POLB
SCHEMBL1151049 0.83 GAA (0.50) GAACTBP2VNN1TDP1POLB
SCHEMBL526194 0.83 GAA (0.57) GAACTBP2TDP1POLBAPEX1
SCHEMBL4645956 0.82 GAA (0.50) GAACTBP2TDP1POLBAPEX1
SCHEMBL12731522 0.82 GAA (0.48) GAACTBP2VNN1TDP1POLB
SCHEMBL28221360 0.81 GAA (0.52) GAACTBP2TDP1POLBAPEX1
SCHEMBL8833730 0.80 TDP1 (0.56) GAACTBP2VNN1TDP1POLB
SCHEMBL28154639 0.80 TAAR1 (0.48) GAACTBP2VNN1TDP1POLB
SCHEMBL6935977 0.80 L3MBTL1 (0.61) GAACTBP2VNN1TDP1SMN1; SMN2
SCHEMBL5572550 0.79 L3MBTL1 (0.55) GAACTBP2TDP1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286786-A2 SPREADABLE ADHESIVE COMPOSITIONS AND APPLICATORS FOR USE THEREWITH Loctite (R & D) Limited (IE) 2003-03-05 EP disclosed
EP-1235831-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2002-09-04 EP disclosed
WO-2001091915-A2 SPREADABLE ADHESIVE COMPOSITIONS AND APPLICATORS FOR USE THEREWITH LOCTITE (R & D) LIMITED (IE) 2001-12-06 WO disclosed
WO-2001028992-A2 NEW OXABISPIDINE COMPOUNDS USEFUL IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2001-04-26 WO disclosed
EP-0099148-A1 Piperazine derivatives, processes for their preparation and pharmaceutical preparations containing them GIST-BROCADES N.V. (NL) 1984-01-25 EP disclosed