SCHEMBL4411090

SCHEMBL4411090

CCCCn1nnnc1C(Cl)(Cl)C(Cl)(Cl)Cl

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
HTT P42858 3/20 0.38
CYP2C19 P33261 1/20 0.36
SLC9A1 P19634 1/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 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
SCHEMBL4408012 0.95 SLC9A1 (0.37) KMT2AMEN1HTTCYP2C19SLC9A1
SCHEMBL4404385 0.93 SLC9A1 (0.39) KMT2AMEN1HTTSLC9A1ALDH1A1
SCHEMBL4408846 0.89 CYP1A2 (0.42) KMT2AMEN1CYP2C19SLC9A1LMNA
SCHEMBL4408015 0.86 KMT2A (0.40) KMT2AMEN1HTTCYP2C19SLC9A1
SCHEMBL4408134 0.82 ALDH1A1 (0.41) KMT2AHTTLMNAALDH1A1CYP1A2
SCHEMBL4405881 0.81 SLC9A1 (0.39) KMT2AMEN1HTTCYP2C19SLC9A1
SCHEMBL4409069 0.80 KMT2A (0.41) KMT2AMEN1HTTCYP2C19SLC9A1
SCHEMBL4414680 0.79 SLC9A1 (0.41) KMT2AMEN1HTTSLC9A1ALDH1A1
SCHEMBL4408437 0.79 KMT2A (0.40) KMT2AMEN1HTTCYP2C19SLC9A1
SCHEMBL4409337 0.76 KMT2A (0.38) KMT2AMEN1HTTCYP2C19SLC9A1

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