SCHEMBL4406940

SCHEMBL4406940

CCCCCCn1nnnc1Br

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.44
GRM2 Q14416 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C19 P33261 1/20 0.35

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
SCHEMBL1159136 0.98 SLC9A1 (0.42) SLC9A1GRM2MEN1KMT2AHTT
SCHEMBL4416327 0.92 GRM2 (0.44) SLC9A1GRM2MEN1KMT2AHTT
SCHEMBL4408930 0.84
SCHEMBL9871920 0.78 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL1027818 0.78 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL2092215 0.78 SLC9A1 (0.45) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL9872320 0.78 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL9872492 0.78 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL6241128 0.77 SLC9A1 (0.44) SLC9A1MEN1KMT2AHTTLMNA
SCHEMBL4405512 0.77 SLC9A1 (0.44) SLC9A1MEN1KMT2AHTTCYP2C19

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