SCHEMBL13840865

SCHEMBL13840865

CCn1c(O)c(/N=N/c2ccc(/N=N/c3ccc(/N=N/c4c(S(=O)(=O)O)cc5cc(S(=O)(=O)O)cc(O)c5c4O)c4cc(S(=O)(=O)O)ccc34)c(S(=O)(=O)O)c2)c(C)c(C(N)=O)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ DNASE1L3 Q13609 1/20 0.46
▸ PRMT1 Q99873 1/20 0.45
▸ CD40 P25942 1/20 0.45
▸ CD40LG P29965 1/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ ENPP2 Q13822 8/20 0.41
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ SENP3 Q9H4L4 2/20 0.38
▸ SENP2 Q9HC62 2/20 0.38
▸ SENP1 Q9P0U3 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ SUMO2 P61956 1/20 0.38

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
SCHEMBL12511484 0.94 PRMT1 (0.46) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL12510877 0.92 PRMT1 (0.43) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL13840868 0.90 ENPP2 (0.48) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL13840847 0.90 ENPP2 (0.48) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL13842617 0.90 PRMT1 (0.44) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL13842680 0.89 CYP1A2 (0.49) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL13842670 0.89 ENPP2 (0.46) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL13840856 0.88 ENPP2 (0.48) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL13840867 0.88 PRMT1 (0.42) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1
SCHEMBL13840837 0.88 PRMT1 (0.42) CYP1A2CYP2C9MAPK1DNASE1L3PRMT1

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-7530685-B2 Trisazo dyes for inks for ink jet printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-05-12 — — US disclosed
US-7530685-B2 Trisazo dyes for inks for ink jet printing FUJIFILM IMAGING COLORANTS LIMITED (GB) 2009-05-12 — — US disclosed
Send feedback