Sugi Predict

Sugi Predict / Compounds / SCHEMBL4412152

SCHEMBL4412152

SCHEMBL4412152

CCCCc1nnn(CCC)n1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ RECQL P46063 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ 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
SCHEMBL4411053 0.94 KMT2A (0.46) KMT2AMEN1RECQLALDH1A1LMNA
SCHEMBL4408230 0.92 KMT2A (0.45) KMT2AMEN1RECQLALDH1A1LMNA
SCHEMBL4409043 0.92 KMT2A (0.38) KMT2AMEN1
SCHEMBL4407275 0.90 TRPV1 (0.40) KMT2AMEN1
SCHEMBL4405868 0.89 TRPV1 (0.42) KMT2A
SCHEMBL4413961 0.88 RECQL (0.41) KMT2AMEN1RECQLALDH1A1LMNA
SCHEMBL4405663 0.86 KMT2A (0.40) KMT2AMEN1
SCHEMBL4403847 0.86 TRPV1 (0.40) KMT2A
SCHEMBL4408760 0.86 LMNA (0.38) KMT2AMEN1LMNA
SCHEMBL4405063 0.85 TRPV1 (0.39) 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