SCHEMBL28487207

SCHEMBL28487207

COc1nc(Cl)nc(Nc2ccc3c(O)c(N=Nc4ccccc4C(=O)O)c(S(=O)(=O)O)cc3c2)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 2/20 0.55
▸ CARM1 Q86X55 1/20 0.55
▸ FUT8 Q9BYC5 1/20 0.52
▸ ENPP2 Q13822 9/20 0.50
▸ PRMT3 O60678 1/20 0.47
▸ EP300 Q09472 1/20 0.47
▸ PRMT6 Q96LA8 1/20 0.47
▸ PHLPP2 Q6ZVD8 3/20 0.46
▸ CD40 P25942 1/20 0.42
▸ CD40LG P29965 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ HIF1A Q16665 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
SCHEMBL13881028 0.93 FUT8 (0.57) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL3691652 0.83 FUT8 (0.69) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL3691645 0.83 FUT8 (0.69) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL4166597 0.80 PRMT1 (0.69) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL3697527 0.80 PRMT1 (0.69) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL14495332 0.79 FUT8 (0.57) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL8972831 0.79 ENPP2 (0.56) PRMT1ENPP2PRMT3EP300PRMT6
SCHEMBL13881048 0.77 PRMT1 (0.57) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL13406580 0.76 FUT8 (0.57) PRMT1CARM1FUT8ENPP2PRMT3
SCHEMBL11671160 0.75 PRMT1 (0.68) PRMT1CARM1FUT8ENPP2PRMT3

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
CN-106904710-B Application device of flocculating agent spiral pipeline 徐州工程学院 2020-12-18 — — CN disclosed
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