SCHEMBL4544236

SCHEMBL4544236

O=Cc1cccc(Cn2cnnn2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ JAK2 O60674 1/20 0.42
▸ KCNJ1 P48048 2/20 0.41
▸ HMOX1 P09601 1/20 0.40
▸ MAOA P21397 2/20 0.38
▸ MAOB P27338 2/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ TBXAS1 P24557 1/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ THRB P10828 1/20 0.35

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
SCHEMBL6115563 0.82 KCNJ1 (0.51) KDM4EMAPK1L3MBTL1MEN1KMT2A
SCHEMBL31422457 0.78 MEN1 (0.45) KDM4EMAPK1L3MBTL1MEN1KMT2A
SCHEMBL895371 0.77 HTT (0.58) KDM4EMAPK1MEN1KMT2AALDH1A1
SCHEMBL29788847 0.76 KDM4E (0.50) KDM4EMAPK1L3MBTL1MEN1KMT2A
SCHEMBL10965028 0.76 KDM4E (0.50) KDM4EMAPK1L3MBTL1MEN1KMT2A
SCHEMBL2163185 0.76 L3MBTL1 (0.50) KDM4EMAPK1L3MBTL1MEN1KMT2A
SCHEMBL31422371 0.76 KDM4E (0.50) KDM4EMAPK1L3MBTL1MEN1KMT2A
SCHEMBL29788851 0.76 L3MBTL1 (0.53) KDM4EMAPK1L3MBTL1MEN1KMT2A
SCHEMBL2562677 0.76 CYP19A1 (0.60) KDM4EALDH1A1
SCHEMBL2532477 0.75 CYP19A1 (0.55) KDM4EMAPK1L3MBTL1MEN1KMT2A

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
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