SCHEMBL7270618

SCHEMBL7270618

COc1ccnc(S(C)(=O)=O)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.60
▸ LMNA P02545 1/20 0.60
▸ TXNRD1 Q16881 6/20 0.43
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ PARP1 P09874 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ LOX P28300 1/20 0.34
▸ LOXL2 Q9Y4K0 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ S1PR1 P21453 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
SCHEMBL28888991 0.83 LMNA (0.44) SMN1; SMN2LMNATXNRD1MTNR1AMTNR1B
SCHEMBL27455546 0.83 LMNA (0.44) SMN1; SMN2LMNATXNRD1MTNR1AMTNR1B
Water SCHEMBL27347655 0.81 LMNA (0.43) SMN1; SMN2LMNATXNRD1MTNR1AMTNR1B
SCHEMBL2411422 0.81 SMN1; SMN2 (0.43) SMN1; SMN2LMNAPARP1ALDH1A1TP53
SCHEMBL29242561 0.81 LMNA (0.43) SMN1; SMN2LMNATXNRD1MTNR1AMTNR1B
SCHEMBL7696606 0.80 ALDH1A1 (0.43) SMN1; SMN2LMNATXNRD1PARP1KMT2A
SCHEMBL32665306 0.80 LMNA (0.42) SMN1; SMN2LMNAPARP1ALDH1A1TP53
SCHEMBL28858783 0.80 LMNA (0.42) SMN1; SMN2LMNAPARP1ALDH1A1TP53
SCHEMBL24725108 0.79 SMN1; SMN2 (0.41) SMN1; SMN2LMNAPARP1KMT2AKDM4E
SCHEMBL27836920 0.79 KMT2A (0.41) SMN1; SMN2LMNATXNRD1PARP1KMT2A

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
EP-1301491-A1 PROCESS FOR THE PREPARATION OF 4,6-DIMETHOXY-2-(METHYLSULFONYL)-1,3-PYRIMIDINE Syngenta Participations AG (CH) 2003-04-16 — — EP disclosed
WO-2002008207-A1 PROCESS FOR THE PREPARATION OF 4,6-DIMETHOXY-2-(METHYLSULFONYL)-1,3-PYRIMIDINE SYNGENTA PARTICIPATIONS AG (CH) 2002-01-31 — — WO disclosed
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