SCHEMBL14469779

SCHEMBL14469779

Cc1ccc(N=Nc2ccc(N=Nc3ccc(S(=O)(=O)O)cc3)cc2S(=O)(=O)O)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HIF1A Q16665 1/20 0.58
RPS6KA3 P51812 1/20 0.52
ENPP2 Q13822 3/20 0.52
PHLPP2 Q6ZVD8 3/20 0.49
CD40 P25942 1/20 0.48
CD40LG P29965 1/20 0.48
ATIC P31939 2/20 0.46
BRD4 O60885 1/20 0.46
SENP2 Q9HC62 3/20 0.46
SUMO2 P61956 2/20 0.46
SUMO1 P63165 2/20 0.46
SENP7 Q9BQF6 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 2/20 0.45
CYP2D6 P10635 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 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
SCHEMBL13265421 0.99 ALDH1A1 (0.57) ALDH1A1HIF1ARPS6KA3ENPP2PHLPP2
SCHEMBL24514219 0.92 RPS6KA3 (0.57) ALDH1A1HIF1ARPS6KA3ENPP2PHLPP2
SCHEMBL15355821 0.90 PHLPP2 (0.52) ALDH1A1HIF1AENPP2PHLPP2ATIC
SCHEMBL6125347 0.87 SENP2 (0.61) ALDH1A1HIF1ARPS6KA3ENPP2PHLPP2
SCHEMBL15756376 0.85 ENPP2 (0.53) ALDH1A1HIF1ARPS6KA3ENPP2PHLPP2
SCHEMBL5351766 0.84 RPS6KA3 (0.59) ALDH1A1HIF1ARPS6KA3ENPP2PHLPP2
SCHEMBL14451198 0.81 PTPN11 (0.46) ALDH1A1HIF1ARPS6KA3ENPP2PHLPP2
Resorcin Brown SCHEMBL110506 0.81 RPS6KA3 (0.59) ALDH1A1HIF1ARPS6KA3ENPP2PHLPP2
Resorcin Brown SCHEMBL110507 0.81 RPS6KA3 (0.59) ALDH1A1HIF1ARPS6KA3ENPP2PHLPP2
Resorcin Brown SCHEMBL31650975 0.81 RPS6KA3 (0.59) ALDH1A1HIF1ARPS6KA3ENPP2PHLPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7250079-B2 Coloring composition and inkjet recording method FUJIFILM CORPORATION (JP) 2007-07-31 US disclosed