SCHEMBL11221594

SCHEMBL11221594

O=S(=O)(O)c1cc(O)c2c(O)cc(S(=O)(=O)O)c(N=Nc3c(S(=O)(=O)O)cc(O)c4c(O)cc(S(=O)(=O)O)cc34)c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.56
▸ CYP1A2 P05177 4/20 0.50
▸ CYP2C9 P11712 4/20 0.50
▸ MAPK1 P28482 3/20 0.50
▸ DNASE1L3 Q13609 1/20 0.50
▸ MPL P40238 6/20 0.45
▸ NT5E P21589 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.42
▸ CTRC Q99895 2/20 0.41
▸ CDK1 P06493 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ CASP6 P55212 2/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ NSD2 O96028 1/20 0.40
▸ MMP14 P50281 1/20 0.40
▸ CYP2C19 P33261 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PTPRA P18433 1/20 0.39
▸ PTPRB P23467 1/20 0.39

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
SCHEMBL8651945 0.82 CYP1A2 (0.53) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8651849 0.82 CYP1A2 (0.53) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8654495 0.81 CYP1A2 (0.52) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL8654499 0.81 CYP1A2 (0.52) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL7787679 0.79 CYP1A2 (0.51) CYP1A2CYP2C9MAPK1DNASE1L3MPL
SCHEMBL7787684 0.79 CYP1A2 (0.51) CYP1A2CYP2C9MAPK1DNASE1L3MPL
SCHEMBL9130588 0.78 NT5E (0.45) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL11880065 0.78 CYP1A2 (0.42) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL3218379 0.76 NT5E (0.46) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3
SCHEMBL9129771 0.75 NT5E (0.42) PRMT1CYP1A2CYP2C9MAPK1DNASE1L3

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-4361842-A INK JET CANON KABUSHIKI KAISHA (JP) 1982-11-30 — — US claimed
US-4361842-A INK JET CANON KABUSHIKI KAISHA (JP) 1982-11-30 — — US disclosed
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