SCHEMBL4408228

SCHEMBL4408228

CCCCCn1nnnc1C#N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 4/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 3/20 0.35
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SAE1 Q9UBE0 1/20 0.33
UBA2 Q9UBT2 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 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
SCHEMBL4409207 0.98 SLC9A1 (0.41) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4407254 0.95 KMT2A (0.40) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL4409406 0.87 CYP1A2 (0.41) SLC9A1MEN1KMT2ACYP2C19ALDH1A1
SCHEMBL4411123 0.79
SCHEMBL2088514 0.73 P2RX7 (0.46) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL544848 0.73 CYP1A2 (0.55) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL2051081 0.72 SLC9A1 (0.42) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL9872320 0.72 CYP1A2 (0.53) SLC9A1MEN1KMT2AHTT
SCHEMBL1159136 0.72 SLC9A1 (0.42) SLC9A1MEN1KMT2AHTTCYP2C19
SCHEMBL2092215 0.72 SLC9A1 (0.45) 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