SCHEMBL4405992

SCHEMBL4405992

CCCCCCc1nnnn1C#N

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.36
TSHR P16473 2/20 0.33
LMNA P02545 1/20 0.33
ALDH1A1 P00352 2/20 0.33
HSD17B10 Q99714 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
SCHEMBL4416411 0.98 CYP19A1 (0.34) CYP19A1TSHRLMNAALDH1A1HSD17B10
SCHEMBL4411822 0.93 ALDH1A1 (0.38) ALDH1A1
SCHEMBL4414588 0.85 CYP19A1 (0.30) CYP19A1
SCHEMBL4408986 0.81
SCHEMBL20963387 0.74 ALDH1A1 (0.40) CYP19A1TSHRLMNAALDH1A1
SCHEMBL4409273 0.74 ALDH1A1 (0.40) CYP19A1TSHRLMNAALDH1A1
SCHEMBL9655558 0.73 ALDH1A1 (0.42) CYP19A1TSHRLMNAALDH1A1
SCHEMBL4409151 0.73 ALDH1A1 (0.40) CYP19A1TSHRLMNAALDH1A1
SCHEMBL4405268 0.73 ALDH1A1 (0.35) CYP19A1TSHRLMNAALDH1A1
SCHEMBL4412155 0.73 CYP19A1 (0.36) CYP19A1TSHRLMNAALDH1A1

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-1859782-B1 Composition for coloring and/or lightening human hair comprising tetrazoles HENKEL AG & CO KGAA (DE) 2009-12-30 EP disclosed
EP-1859782-A1 Composition for coloring and/or lightening human hair comprising tetrazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed