SCHEMBL6933093

SCHEMBL6933093

Nc1ccc(N=Nc2ncc[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.58
KMT2A Q03164 6/20 0.58
RAB9A P51151 5/20 0.58
NPC1 O15118 4/20 0.58
HSP90AA1 P07900 1/20 0.58
AGTR1 P30556 1/20 0.58
MAPT P10636 7/20 0.54
TDP1 Q9NUW8 4/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
CA2 P00918 3/20 0.40
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL6933089 1.00 MEN1 (0.58) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL13201267 0.81 NPC1 (0.58) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL14606324 0.81 MEN1 (0.58) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL11609544 0.81 MEN1 (0.58) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL18066434 0.81 MEN1 (0.58) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL11609547 0.81 MEN1 (0.58) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL3069084 0.80 KMT2A (0.57) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL3069082 0.80 KMT2A (0.57) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL11103862 0.78 MEN1 (0.52) MEN1KMT2ARAB9ANPC1HSP90AA1
SCHEMBL11107953 0.78 MEN1 (0.52) MEN1KMT2ARAB9ANPC1HSP90AA1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed
EP-1366756-A1 Composition for dyeing human hair KPSS-Kao Professional Salon Services GmbH (DE) 2003-12-03 EP disclosed
EP-1172082-A2 Process for dyeing human hair GOLDWELL GmbH (DE) 2002-01-16 EP disclosed
EP-1166752-A2 Hair dyeing composition GOLDWELL GmbH (DE) 2002-01-02 EP disclosed