SCHEMBL10499489

SCHEMBL10499489

Oc1ccc(NCCCCCCCBr)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 8/20 0.52
F2 P00734 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
TMPRSS6 Q8IU80 2/20 0.52
ST14 Q9Y5Y6 2/20 0.52
APP P05067 1/20 0.43
AGER Q15109 1/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
ALOX15 P16050 2/20 0.39
MAPK1 P28482 2/20 0.39
CASP1 P29466 2/20 0.39
BLM P54132 2/20 0.39
KMT2A Q03164 2/20 0.39

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
SCHEMBL10499251 1.00 PRSS1 (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10499969 1.00 PRSS1 (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
Bromide SCHEMBL10499280 0.98 PRSS1 (0.50) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10499088 0.98 PRSS1 (0.50) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL27394685 0.83 APP (0.48) APPAGERALDH1A1MAPTL3MBTL1
SCHEMBL14972359 0.82 ALDH1A1 (0.55) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL1573489 0.80 ESR1 (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL1953355 0.80 ESR1 (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL10485907 0.80 ESR1 (0.52) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL1954253 0.80 ESR1 (0.52) PRSS1F2PRSS2PRSS3TMPRSS6

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
US-4835180-A N-(ω-cyanoalkyl)aminophenols and use as inhibitors of lipoxygenase activity STERLING DRUG INC. (US) 1989-05-30 US disclosed
EP-0262618-A2 N-(omega)-cyanoalkyl)aminophenols, and their preparation STERLING DRUG INC. (US) 1988-04-06 EP disclosed