SCHEMBL4403852

SCHEMBL4403852

CCn1nnnc1C(Cl)(Cl)Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
CACNA1B Q00975 2/20 0.34
APBA1 Q02410 2/20 0.34
HSP90AA1 P07900 1/20 0.34
LMNA P02545 2/20 0.33
KMT2A Q03164 1/20 0.33
SOS1 Q07889 1/20 0.33
CYP1A2 P05177 1/20 0.33
CCR6 P51684 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.31
SLC9A1 P19634 1/20 0.31
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL4407118 0.83 ALDH1A1 (0.45) ALDH1A1HPGDLMNAKMT2ACYP1A2
SCHEMBL4408134 0.83 ALDH1A1 (0.41) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4408015 0.80 KMT2A (0.40) ALDH1A1MAPTHTTLMNAKMT2A
SCHEMBL4404540 0.80 ALDH1A1 (0.45) ALDH1A1LMNAKMT2ASOS1CYP1A2
SCHEMBL4403609 0.79 ALDH1A1 (0.33) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4405881 0.79 SLC9A1 (0.39) ALDH1A1HTTLMNAKMT2ACYP1A2
SCHEMBL4405814 0.78 ALDH1A1 (0.44) ALDH1A1LMNAKMT2ASOS1TSHR
SCHEMBL4405738 0.78 CNR2 (0.39) ALDH1A1MAPTHPGDHTTCACNA1B
SCHEMBL4414680 0.77 SLC9A1 (0.41) ALDH1A1HTTKMT2ACYP1A2SLC9A1
SCHEMBL14420947 0.77 ALDH1A1 (0.42) ALDH1A1LMNAKMT2ASOS1CYP1A2

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