SCHEMBL4405512

SCHEMBL4405512

CCCCCCn1nnnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 3/20 0.44
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HTT P42858 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL4411070 0.98 SLC9A1 (0.42) SLC9A1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL4416280 0.92 KMT2A (0.43) SLC9A1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL4405816 0.84
SCHEMBL9871920 0.78 CYP1A2 (0.53) SLC9A1CYP1A2MEN1KMT2AHTT
SCHEMBL1027818 0.78 CYP1A2 (0.53) SLC9A1CYP1A2MEN1KMT2AHTT
SCHEMBL2092215 0.78 SLC9A1 (0.45) SLC9A1CYP1A2ALDH1A1MEN1KMT2A
SCHEMBL9872320 0.78 CYP1A2 (0.53) SLC9A1CYP1A2MEN1KMT2AHTT
SCHEMBL9872492 0.78 CYP1A2 (0.53) SLC9A1CYP1A2MEN1KMT2AHTT
SCHEMBL6536864 0.77 SLC9A1 (0.44) SLC9A1ALDH1A1MEN1KMT2AHTT
SCHEMBL4406845 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