SCHEMBL14338720

SCHEMBL14338720

Cc1cc(N=Nc2c(S(=O)(=O)O)cc3cc(NC=O)ccc3c2O)c(C)cc1N=Nc1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CD40 P25942 1/20 0.62
▸ CD40LG P29965 1/20 0.62
▸ ENPP2 Q13822 10/20 0.60
▸ ALDH1A1 P00352 2/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ PRMT3 O60678 1/20 0.52
▸ EP300 Q09472 1/20 0.52
▸ PRMT6 Q96LA8 1/20 0.52
▸ PRMT1 Q99873 1/20 0.52
▸ CA2 P00918 1/20 0.46
▸ CA3 P07451 1/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ THRB P10828 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL13703533 0.90 CD40 (0.78) CD40CD40LGENPP2ALDH1A1HIF1A
SCHEMBL14388335 0.89 ENPP2 (0.55) CD40CD40LGENPP2ALDH1A1HIF1A
SCHEMBL14388332 0.88 ENPP2 (0.56) CD40CD40LGENPP2ALDH1A1HIF1A
SCHEMBL13098877 0.87 ENPP2 (0.65) CD40CD40LGENPP2ALDH1A1HIF1A
SCHEMBL17518450 0.86 ENPP2 (0.69) CD40CD40LGENPP2ALDH1A1HIF1A
SCHEMBL17545761 0.86 ENPP2 (0.69) CD40CD40LGENPP2ALDH1A1HIF1A
SCHEMBL14388329 0.86 ENPP2 (0.58) CD40CD40LGENPP2ALDH1A1HIF1A
SCHEMBL14394240 0.85 ENPP2 (0.62) CD40CD40LGENPP2ALDH1A1HIF1A
SCHEMBL14338727 0.85 ENPP2 (0.53) CD40CD40LGENPP2ALDH1A1HIF1A
SCHEMBL13350541 0.84 ENPP2 (0.67) CD40CD40LGENPP2ALDH1A1HIF1A

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-7304147-B2 Azo compound and salt thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-12-04 — — US disclosed
US-20070079740-A1 Azo compound and salt thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-04-12 — — US disclosed
Send feedback