SCHEMBL10499458

SCHEMBL10499458

Oc1ccc(NCCCCCCBr)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 11/20 0.39
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ TNIK Q9UKE5 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ F2 P00734 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ TMPRSS6 Q8IU80 2/20 0.33
▸ ST14 Q9Y5Y6 2/20 0.33
▸ NAAA Q02083 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL10499439 0.81 CYP3A4 (0.41) PRSS1KDM4EALDH1A1GAAMAPT
SCHEMBL10500144 0.80 AR (0.35) PRSS1HSP90AA1HSP90AB1TNIKGAA
Hydrochloric Acid SCHEMBL10499227 0.79 PRSS1 (0.35) PRSS1HSP90AA1HSP90AB1GAA
SCHEMBL10499428 0.76 HSD17B10 (0.50) HSP90AA1ALDH1A1HSD17B10XDHSLC22A12
SCHEMBL10499251 0.75 PRSS1 (0.52) PRSS1HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL10499969 0.75 PRSS1 (0.52) PRSS1HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL10499489 0.75 PRSS1 (0.52) PRSS1HSP90AA1HSP90AB1KDM4EALDH1A1
Bromide SCHEMBL10499280 0.74 PRSS1 (0.50) PRSS1HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL10499088 0.73 PRSS1 (0.50) PRSS1HSP90AA1HSP90AB1KDM4EALDH1A1
SCHEMBL5033272 0.72 TNIK (0.40) TNIKXDHSLC22A12

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
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