SCHEMBL13997571

SCHEMBL13997571

Cc1ccc(S(=O)(=O)Oc2cc(S(=O)(=O)O)cc3c(S(=O)(=O)O)c(N=Nc4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(O)c5c4N)ccc23)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 4/20 0.49
▸ ALDH1A1 P00352 1/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ ENPP2 Q13822 9/20 0.44
▸ PRMT1 Q99873 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ CYP2C9 P11712 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ DNASE1L3 Q13609 1/20 0.43
▸ SUMO2 P61956 1/20 0.42
▸ SUMO1 P63165 1/20 0.42
▸ SENP7 Q9BQF6 1/20 0.42
▸ SENP3 Q9H4L4 1/20 0.42
▸ SENP2 Q9HC62 1/20 0.42
▸ SENP1 Q9P0U3 1/20 0.42
▸ PHLPP2 Q6ZVD8 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
SCHEMBL13994970 0.90 CYP1A2 (0.42) CYP1A2ALDH1A1HIF1AENPP2PRMT1
SCHEMBL10074812 0.87 CYP1A2 (0.46) CYP1A2ALDH1A1HIF1AENPP2MEN1
SCHEMBL6125337 0.87 CYP1A2 (0.46) CYP1A2ALDH1A1HIF1AENPP2MEN1
SCHEMBL13997566 0.84 ENPP2 (0.47) CYP1A2ENPP2MEN1HTTKMT2A
SCHEMBL14400964 0.84 CYP1A2 (0.43) CYP1A2ALDH1A1HIF1AENPP2PRMT1
SCHEMBL14400843 0.82 CYP1A2 (0.44) CYP1A2ALDH1A1HIF1AENPP2MEN1
SCHEMBL14400903 0.80 CYP1A2 (0.53) CYP1A2ALDH1A1HIF1AENPP2PRMT1
SCHEMBL14400963 0.80 ALDH1A1 (0.41) CYP1A2ALDH1A1HIF1AENPP2PRMT1
SCHEMBL13994977 0.79 ENPP2 (0.40) CYP1A2ENPP2MEN1HTTKMT2A
SCHEMBL11314815 0.78 CYP1A2 (0.57) CYP1A2ALDH1A1HIF1AENPP2PRMT1

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-7462228-B2 Water-base black ink composition and colored product NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2008-12-09 — — US disclosed
Send feedback