SCHEMBL4407841

SCHEMBL4407841

CCCCn1nnc(C(Cl)(Cl)Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 1/20 0.36
TSHR P16473 1/20 0.35
ALDH1A1 P00352 1/20 0.35
F2 P00734 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TOP2A P11388 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
SCHEMBL4408451 0.95 TRPV1 (0.38) MAPK1KMT2AMEN1
SCHEMBL4415113 0.93 TRPV1 (0.40) KMT2A
SCHEMBL4407182 0.89 RECQL (0.39) KMT2AMEN1RAB9ANPC1TSHR
SCHEMBL4407456 0.86 MAPK1 (0.36) MAPK1KMT2AMEN1RAB9ANPC1
SCHEMBL4405435 0.83 KMT2A (0.37) MAPK1KMT2AMEN1RAB9ANPC1
SCHEMBL4407810 0.81 DDX3X (0.39) MAPK1KMT2AMEN1RAB9ANPC1
SCHEMBL4409004 0.81 TRPV1 (0.36) MAPK1KMT2AMEN1
SCHEMBL4407794 0.80 SMN1; SMN2 (0.39) MAPK1RAB9ANPC1ALDH1A1SMN1; SMN2
SCHEMBL4405641 0.80 TRPV1 (0.39) KMT2A
SCHEMBL4407458 0.79 DDX3X (0.36) MAPK1KMT2AMEN1RAB9ANPC1

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