SCHEMBL807418

SCHEMBL807418

COc1cc(N2CCCCC2)ccc1Br

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
LMNA P02545 2/20 0.55
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SUV39H2 Q9H5I1 1/20 0.49
HIF1A Q16665 3/20 0.47
SLC16A3 O15427 2/20 0.47
SLC16A1 P53985 2/20 0.47
PTPN1 P18031 1/20 0.46
S1PR1 P21453 1/20 0.45
TSHR P16473 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL23705839 0.95 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL31091978 0.95 ALDH1A1 (0.55) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL2498677 0.86 MEN1 (0.60) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL5528296 0.85 MAPK1 (0.49) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL2384047 0.85 SIRT6 (0.58) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL28860292 0.84 ALDH1A1 (0.63) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL255446 0.83 CHRNB2 (0.60) LMNAMAPT
SCHEMBL30602381 0.83 MEN1 (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL807233 0.83 MEN1 (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL2869885 0.82 CHRNB2 (0.58) LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed