SCHEMBL13201664

SCHEMBL13201664

Cc1cc(N=Nc2ccccc2)ccc1Nc1nc(Cl)nc(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.46
▸ NFKB1 P19838 2/20 0.45
▸ MAPT P10636 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ TRPA1 O75762 1/20 0.39
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ HTT P42858 2/20 0.37
▸ HSP90AA1 P07900 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL12301036 0.87 KMT2A (0.46) NFKB1MAPTKMT2AMAPK1MEN1
SCHEMBL13201663 0.87 KMT2A (0.46) NFKB1MAPTKMT2AMAPK1MEN1
SCHEMBL13330296 0.86 MAPT (0.42) NFKB1MAPTKMT2AMAPK1MEN1
SCHEMBL13797738 0.78 GAA (0.37) MAPTALDH1A1SMN1; SMN2GAANPC1
SCHEMBL1401203 0.77 NFKB1 (0.70) TSHRNFKB1MAPTKMT2AMAPK1
SCHEMBL6123774 0.77 NFKB1 (0.70) TSHRNFKB1MAPTKMT2AMAPK1
SCHEMBL1401200 0.77 NFKB1 (0.70) TSHRNFKB1MAPTKMT2AMAPK1
SCHEMBL13797708 0.77 KCNH3 (0.42) NPC1RAB9AL3MBTL1
SCHEMBL8973681 0.76 NPC1 (0.56) TSHRNFKB1MAPTKMT2AMAPK1
SCHEMBL10939229 0.75 TSHR (0.67) TSHRNFKB1MAPTKMT2AMAPK1

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
US-7771525-B2 Water-soluble azo compound or salt thereof, ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-08-10 — — US disclosed
US-20100068475-A1 WATER-SOLUBLE AZO COMPOUND OR SALT THEREOF, INK COMPOSITION AND COLORED PRODUCT NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-03-18 — — US disclosed
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