SCHEMBL5739485

SCHEMBL5739485

O=C(O)c1c(-c2ccccc2)c2cc(Cl)ccc2n1CCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 1/20 0.53
SERPINE1 P05121 4/20 0.48
MAPT P10636 3/20 0.48
TP53 P04637 2/20 0.48
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
PPARG P37231 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPK8 P45983 2/20 0.45
LMNA P02545 1/20 0.45
EDNRA P25101 2/20 0.44
EDNRB P24530 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.44
OXER1 Q8TDS5 3/20 0.43

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
SCHEMBL6090931 0.86 KMT2A (0.58) MAPTTP53ALOX15TSHRKMT2A
SCHEMBL6091187 0.81 SERPINE1 (0.44) SERPINE1CYP3A4ALOX15HSD17B10MAPK8
SCHEMBL27621758 0.80 HDAC1 (0.50) ACLYMAPTTP53MEN1CYP3A4
SCHEMBL14117729 0.79 SERPINE1 (0.56) ACLYSERPINE1MAPTMEN1CYP3A4
SCHEMBL6089927 0.79 EDNRA (0.66) EDNRAEDNRB
SCHEMBL8687160 0.77 ACLY (0.62) ACLYKMT2AMAPK8EDNRA
SCHEMBL6093339 0.76 SERPINE1 (0.61) ACLYSERPINE1MAPTMEN1CYP3A4
SCHEMBL4709825 0.73 MAPK8 (0.79) MAPK8
SCHEMBL27658626 0.73 MEN1 (0.61) SERPINE1MAPTMEN1CYP3A4ALOX15
SCHEMBL6092353 0.72 SERPINE1 (0.56) ACLYSERPINE1MAPTMEN1CYP3A4

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
EP-1646624-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2006-04-19 EP disclosed
WO-2005005415-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-01-20 WO disclosed