SCHEMBL25948725

SCHEMBL25948725

Cc1ccc(S(=O)(=O)OC[C@@H]2CCC(n3ccc4c(Cl)ncnc43)O2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2D6 P10635 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ BCHE P06276 1/20 0.33
▸ PRMT5 O14744 2/20 0.33
▸ WDR77 Q9BQA1 2/20 0.33
▸ NNMT P40261 2/20 0.31
▸ ATG7 O95352 2/20 0.31
▸ SLC22A12 Q96S37 1/20 0.30
▸ NAE1 Q13564 2/20 0.30
▸ CA2 P00918 2/20 0.30
▸ GRK5 P34947 1/20 0.30
▸ CSNK1A1 P48729 1/20 0.30
▸ UBA6 A0AVT1 1/20 0.30
▸ NEDD8 Q15843 1/20 0.30

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
SCHEMBL18572220 1.00 ALDH1A1 (0.34) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL20692108 0.83 PRMT5 (0.35) ALDH1A1CYP2D6CYP2C9CYP2C19BCHE
SCHEMBL25949119 0.83 BCHE (0.32) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL23892576 0.83 EIF2AK3 (0.34) ALDH1A1CYP3A4CYP2D6TSHRCYP2C9
SCHEMBL18572000 0.80 PIP4K2A (0.36) NNMTSLC22A12NAE1CA2GRK5
SCHEMBL24067683 0.80 PIP4K2A (0.36) NNMTSLC22A12NAE1CA2GRK5
SCHEMBL18571703 0.78 GPR119 (0.34) UBA6
SCHEMBL18572012 0.77 RXFP1 (0.49) PRMT5WDR77
SCHEMBL22683096 0.77 RXFP1 (0.49) PRMT5WDR77
SCHEMBL20692203 0.76 PRMT5 (0.33) BCHEPRMT5WDR77NNMT

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
EP-4219496-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN Pharmaceutica NV (BE) 2023-08-02 — — EP disclosed
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