SCHEMBL18572000

SCHEMBL18572000

Cc1ccc(S(=O)(=O)OCC2CCC(n3ccc4c(Cl)ncnc43)C2)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIP4K2A P48426 1/20 0.36
▸ NAE1 Q13564 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ GRK5 P34947 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ UBA6 A0AVT1 1/20 0.35
▸ NEDD8 Q15843 1/20 0.35
▸ UBA3 Q8TBC4 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 1/20 0.35
▸ ACACB O00763 1/20 0.34
▸ NNMT P40261 6/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ SLC22A12 Q96S37 1/20 0.31
▸ ADCY5 O95622 1/20 0.31

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
SCHEMBL24067683 1.00 PIP4K2A (0.36) PIP4K2ANAE1CA2GRK5CSNK1A1
SCHEMBL25948725 0.80 ALDH1A1 (0.34) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL18572220 0.80 ALDH1A1 (0.34) NAE1CA2GRK5CSNK1A1UBA6
SCHEMBL21312932 0.78 NNMT (0.33) NNMT
SCHEMBL29540340 0.77 NNMT (0.40) NNMT
SCHEMBL2740566 0.77 NAE1 (0.44) PIP4K2ANAE1CA2GRK5CSNK1A1
SCHEMBL10186281 0.77 NAE1 (0.44) PIP4K2ANAE1CA2GRK5CSNK1A1
SCHEMBL18572001 0.76 NNMT (0.35) NNMT
SCHEMBL25049187 0.76 PIP4K2A (0.39) PIP4K2ANNMTSLC22A12ADCY5
SCHEMBL20049521 0.76 PIP4K2A (0.39) PIP4K2AACACBNNMTSLC22A12ADCY5

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
WO-2017032840-A1 NOVEL 6-6 BICYCLIC AROMATIC RING SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-03-02 — — WO disclosed
Send feedback