SCHEMBL13313311

SCHEMBL13313311

Clc1nc(Nc2ccc(N=Nc3ccccc3)cc2)nc(Nc2ccc(N=Nc3ccccc3)cc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.70
▸ MEN1 O00255 4/20 0.70
▸ KMT2A Q03164 4/20 0.70
▸ MAPK1 P28482 1/20 0.70
▸ NFKB1 P19838 2/20 0.65
▸ LMNA P02545 2/20 0.60
▸ NPC1 O15118 2/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ CA12 O43570 3/20 0.55
▸ CA1 P00915 3/20 0.55
▸ CA2 P00918 3/20 0.55
▸ CA9 Q16790 3/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ TXN P10599 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ CACNA1B Q00975 1/20 0.45
▸ APBA1 Q02410 1/20 0.45
▸ KCNH3 Q9ULD8 1/20 0.45

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
SCHEMBL6123719 1.00 MAPT (0.70) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL1401200 0.97 NFKB1 (0.70) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL1401203 0.97 NFKB1 (0.70) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL6123774 0.97 NFKB1 (0.70) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL7517592 0.91 MAPT (0.53) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL1401381 0.89 MAPT (0.56) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL1401384 0.89 MAPT (0.56) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL14280919 0.86 MAPT (0.56) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL1923883 0.83 MAPT (1.00) MAPTMEN1KMT2AMAPK1NFKB1
SCHEMBL14189802 0.83 KCNH3 (0.46) MAPTMEN1KMT2AMAPK1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7740696-B2 Water-soluble azo compound, ink composition, and colored article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-06-22 — — US disclosed
US-20090130399-A1 Water-Soluble Azo Compound, Ink Composition and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-21 — — US disclosed
US-20090117341-A1 Water-Soluble Azo Compound, Ink Composition, and Colored Article NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2009-05-07 — — US disclosed
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