SCHEMBL2186993

SCHEMBL2186993

C=CCOc1cc(Br)ccc1CC=NO

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.58
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 2/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 1/20 0.45
TSHR P16473 4/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LIG1 P18858 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL2185561 0.89 HPGD (0.62) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL2187541 0.81 MAPK1 (0.49) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL5210543 0.75 HPGD (0.58) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL2221032 0.74 HPGD (1.00) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL2221037 0.74 HPGD (1.00) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL21728084 0.73 HPGD (0.53) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL4573203 0.72 ALOX15 (0.38) HPGDALDH1A1KMT2AHTTTSHR
SCHEMBL2144792 0.72 ALOX15 (0.38) HPGDALDH1A1KMT2AHTTTSHR
SCHEMBL2545494 0.71 HPGD (0.55) HPGDALDH1A1MAPK1MEN1KMT2A
SCHEMBL2186990 0.71 HPGD (0.55) HPGDALDH1A1MAPK1MEN1KMT2A

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-2342179-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES Semmelweis Egyetem (HU) 2011-07-13 EP disclosed
WO-2010029379-A1 COMPOUNDS FOR INHIBITING SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) / VASCULAR ADHESION PROTEIN-1 (VAP-1) AND USES THEREOF FOR TREATMENT AND PREVENTION OF DISEASES SEMMELWEIS EGYETEM (HU) 2010-03-18 WO disclosed