SCHEMBL17865979

SCHEMBL17865979

Cc1cc(Cl)ccc1CNc1ncnc2c1ccn2[C@H]1C[C@H](O)[C@@H](N(C)S(=O)(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METTL3 Q86U44 1/20 0.40
METTL14 Q9HCE5 1/20 0.40
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NR2E3 Q9Y5X4 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
NAE1 Q13564 2/20 0.37
CA2 P00918 2/20 0.37
GRK5 P34947 1/20 0.37
CSNK1A1 P48729 1/20 0.37
UBA6 A0AVT1 1/20 0.37
NEDD8 Q15843 1/20 0.37
UBA3 Q8TBC4 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
PIP4K2A P48426 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 1/20 0.35

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
SCHEMBL17865959 0.89 METTL3 (0.38) METTL3METTL14NAE1CA2GRK5
SCHEMBL17865958 0.88 TP53 (0.45) METTL3METTL14RXFP1NAE1CA2
SCHEMBL17865921 0.87 METTL3 (0.54) METTL3METTL14NAE1CA2GRK5
SCHEMBL17865977 0.85 NAE1 (0.43) METTL3METTL14PPARGRXFP1NR2E3
SCHEMBL17865976 0.84 CCNA2 (0.44) METTL3METTL14NAE1CA2GRK5
SCHEMBL17866047 0.84 PPARG (0.42) METTL3METTL14PPARGRXFP1NR2E3
SCHEMBL17865956 0.82 NAE1 (0.43) METTL3METTL14NAE1CA2GRK5
SCHEMBL17865924 0.82 UBA6 (0.38) METTL3METTL14NAE1CA2GRK5
SCHEMBL17866004 0.82 AURKA (0.42) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL191932 0.82 NAE1 (0.57) NAE1CA2GRK5CSNK1A1UBA6

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-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP claimed