SCHEMBL4414593

SCHEMBL4414593

CCCCn1nnc(CCC)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
MEN1 O00255 2/20 0.38
RAB9A P51151 3/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 1/20 0.37
F2 P00734 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 2/20 0.37
PKM P14618 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 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
SCHEMBL4405519 0.94 TRPV1 (0.40) KMT2AMEN1
SCHEMBL4408005 0.92 TRPV1 (0.42) KMT2A
SCHEMBL4409043 0.92 KMT2A (0.38) KMT2AMEN1RAB9ANPC1TSHR
SCHEMBL4405663 0.90 KMT2A (0.40) KMT2AMEN1
SCHEMBL4405063 0.89 TRPV1 (0.39) KMT2A
SCHEMBL4413961 0.88 RECQL (0.41) KMT2AMEN1RAB9ANPC1ALDH1A1
SCHEMBL4407275 0.86 TRPV1 (0.40) KMT2AMEN1
SCHEMBL4403847 0.86 TRPV1 (0.40) KMT2A
SCHEMBL4414619 0.86 KMT2A (0.39) KMT2AMEN1RAB9ANPC1TSHR
SCHEMBL4405868 0.85 TRPV1 (0.42) KMT2A

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