SCHEMBL22861909

SCHEMBL22861909

C=CS(=O)(=O)c1cccc(Nc2nc(F)nc(Nc3cc(S(=O)(=O)O)cc4cc(S(=O)(=O)O)c(N=Nc5cc(C)ccc5S(=O)(=O)O)c(O)c34)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FUT8 Q9BYC5 1/20 0.58
▸ PRMT1 Q99873 2/20 0.40
▸ ENPP2 Q13822 7/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ DNASE1L3 Q13609 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ PHLPP2 Q6ZVD8 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ ENPP3 O14638 1/20 0.33
▸ ENPP1 P22413 1/20 0.33
▸ CHAT P28329 1/20 0.33

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
SCHEMBL15363306 0.90 FUT8 (0.57) FUT8PRMT1ENPP2CYP1A2CYP2C9
SCHEMBL24019210 0.86 FUT8 (0.53) FUT8PRMT1ENPP2CYP1A2CYP2C9
SCHEMBL45618 0.85 FUT8 (0.56) FUT8PRMT1ENPP2CYP1A2CYP2C9
SCHEMBL18801530 0.85 FUT8 (0.52) FUT8PRMT1ENPP2CYP1A2CYP2C9
SCHEMBL881774 0.85 FUT8 (0.52) FUT8PRMT1ENPP2CYP1A2CYP2C9
SCHEMBL25592677 0.82 FUT8 (0.49) FUT8PRMT1ENPP2CYP1A2CYP2C9
SCHEMBL881768 0.80 FUT8 (0.56) FUT8PRMT1ENPP2CYP1A2CYP2C9
SCHEMBL22861908 0.80 FUT8 (0.55) FUT8PRMT1ENPP2CYP1A2CYP2C9
SCHEMBL24019200 0.80 FUT8 (0.55) FUT8PRMT1ENPP2CYP1A2CYP2C9
SCHEMBL25592672 0.79 FUT8 (0.65) FUT8PRMT1ENPP2CYP1A2CYP2C9

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-20210002735-A1 Process for the Simultaneous Tanning and Dyeing of Collagen Containing Fibrous Material HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2021-01-07 — — US disclosed
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