SCHEMBL22824438

SCHEMBL22824438

C=C(N)c1ccc(OCCCCCCOc2ccc(C(=N)N)cc2Br)c(Br)c1

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.78
PLAU P00749 2/20 0.78
ST14 Q9Y5Y6 2/20 0.78
PRSS1 P07477 9/20 0.60
KLK1 P06870 1/20 0.55

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
SCHEMBL14599538 0.93 F2 (0.90) F2PLAUST14PRSS1KLK1
SCHEMBL597315 0.93 F2 (0.90) F2PLAUST14PRSS1KLK1
SCHEMBL22827647 0.91 F2 (0.65) F2PLAUST14PRSS1KLK1
Dibrompropamidine SCHEMBL292947 0.88 F2 (1.00) F2PLAUST14PRSS1
Dibrompropamidine SCHEMBL29709297 0.88 F2 (1.00) F2PLAUST14PRSS1
Dibrompropamidine SCHEMBL21083095 0.86 F2 (0.97) F2PLAUST14PRSS1
SCHEMBL1428334 0.86 F2 (0.78) F2PLAUST14PRSS1KLK1
Dibrompropamidine SCHEMBL28086367 0.81 F2 (0.85) F2PLAUST14PRSS1
SCHEMBL16360744 0.81 F2 (0.79) F2PLAUST14PRSS1
SCHEMBL20528835 0.79 F2 (0.67) F2PLAUST14PRSS1KLK1

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-2020254102-A1 PRODUCT FOR DYEING KERATINOUS MATERIAL, CONTAINING AMINOSILICONE, A CHROMOPHORIC COMPOUND, PRESERVATIVE AND A FATTY CONSTITUENT HENKEL AG & CO. KGAA (DE) 2020-12-24 WO disclosed