SCHEMBL7588412

SCHEMBL7588412

COc1ccc(-c2ccc(NS(=O)(=O)c3ccc(Cl)s3)c(NS(=O)(=O)c3ccc(Cl)s3)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPT P10636 3/20 0.52
POLB P06746 2/20 0.52
LMNA P02545 2/20 0.52
HTT P42858 2/20 0.52
RECQL P46063 1/20 0.52
PTPN2 P17706 2/20 0.50
PTPN1 P18031 2/20 0.50
PTPN5 P54829 2/20 0.50
GAA P10253 1/20 0.49
CCR5 P51681 2/20 0.48
PABPC1 P11940 1/20 0.47
MAPK1 P28482 1/20 0.47
ACLY P53396 1/20 0.47
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47

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
SCHEMBL7568102 0.85 PTPN2 (0.52) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7593138 0.84 PTGES2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7567353 0.80 PTGES2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7574296 0.79 ALDH1A1 (0.46) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7601861 0.77 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7588883 0.77 GSK3B (0.46) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7578661 0.77 CCR2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7572367 0.76 SMN1; SMN2 (0.50) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL25140613 0.76 MEN1 (0.61) SMN1; SMN2MEN1KMT2AALDH1A1MAPT
SCHEMBL7593653 0.75 ALDH1A1 (0.63) SMN1; SMN2MEN1KMT2AALDH1A1MAPT

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-2002083629-A1 BISSULFONAMIDE DERIVATIVES AS INHIBITORS OF DEHYDROQUINATE SYNTHETASES AND TYPE II DEHYDROQUINASES ARROW THERAPEUTICS LIMITED (GB) 2002-10-24 WO disclosed