SCHEMBL6861337

SCHEMBL6861337

CC(C)(C)c1ccc2c(c1)C(=N)c1ccccc1C2=N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.60
NPC1 O15118 2/20 0.60
CASP3 P42574 2/20 0.60
RAB9A P51151 2/20 0.60
SENP8 Q96LD8 2/20 0.60
SENP7 Q9BQF6 2/20 0.60
SENP6 Q9GZR1 2/20 0.60
PLA2G1B P04054 1/20 0.60
NFKB1 P19838 1/20 0.60
NFKB2 Q00653 1/20 0.60
RELA Q04206 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
ATG4B Q9Y4P1 1/20 0.60
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR1H3 Q13133 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL25485236 0.82 ALDH1A1 (0.69) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL29402468 0.75 NPC1 (1.00) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL36613 0.75 NPC1 (1.00) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL5680763 0.75 ALDH1A1 (0.55) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL1134715 0.74 ALDH1A1 (0.58) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL1134700 0.74 ALDH1A1 (0.58) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL13439536 0.73 NPC1 (0.89) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL867392 0.73 NPC1 (0.96) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL15383586 0.73 NPC1 (0.81) ALDH1A1NPC1CASP3RAB9ASENP8
SCHEMBL26004981 0.72 ALDH1A1 (0.57) ALDH1A1NPC1CASP3RAB9ASENP8

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-6835805-B2 Reaction product of a diaminoanthracene, substituted or not, optionally with a diiminoanthracene substituted or not in the absence of anthraquinone; electroconductivity, transparent coatings, displays NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2004-12-28 US claimed
US-6835805-B2 Reaction product of a diaminoanthracene, substituted or not, optionally with a diiminoanthracene substituted or not in the absence of anthraquinone; electroconductivity, transparent coatings, displays NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2004-12-28 US disclosed
US-20020095013-A1 Reaction product of a diaminoanthracene, substituted or not, optionally with a diiminoanthracene substituted or not in the absence of anthraquinone; electroconductivity, transparent coatings, displays NISSAN CHEMICAL INDUSTRIES LIMITED (JP) 2002-07-18 US disclosed