SCHEMBL3811075

SCHEMBL3811075

Cc1ccc(C)c(S(=O)(=O)Nc2cc(-c3ccc([N+](=O)[O-])cc3)sc2OC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.48
MAPT P10636 6/20 0.48
KMT2A Q03164 6/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
LMNA P02545 4/20 0.48
HTT P42858 4/20 0.48
SLC5A1 P13866 1/20 0.48
NCOA1 Q15788 1/20 0.48
NCOA3 Q9Y6Q9 1/20 0.48
MAPK1 P28482 4/20 0.44
NFKBIA P25963 1/20 0.43
RELA Q04206 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL3812574 0.90 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4ENPSR1
SCHEMBL3814765 0.89 MEN1 (0.44) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3817153 0.87 NPSR1 (0.51) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL2158090 0.86 MEN1 (0.50) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3811263 0.86 NPSR1 (0.52) MEN1MAPTKMT2ALMNAPOLB
SCHEMBL3816884 0.82 MEN1 (0.47) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3807188 0.82 KCNH2 (0.45) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3816563 0.82 NPSR1 (0.54) MEN1MAPTKMT2ASMN1; SMN2LMNA
SCHEMBL3807300 0.82 RELA (0.50) MEN1KMT2ASMN1; SMN2NFKBIARELA
SCHEMBL3816838 0.79 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDKDM4E

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-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed