SCHEMBL4330190

SCHEMBL4330190

Cc1ccc(S(=O)(=O)Oc2ccc(-c3csc(NC(=N)N)n3)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ1 P51787 5/20 0.53
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
LMNA P02545 4/20 0.51
MAPT P10636 4/20 0.50
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
HTT P42858 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
KDM1A O60341 1/20 0.48
MAOA P21397 1/20 0.48
GSTO1 P78417 1/20 0.48
PTGS2 P35354 1/20 0.48
CLK1 P49759 1/20 0.48

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
SCHEMBL4324085 0.89 PHGDH (0.50) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL4334954 0.89 MAPT (0.52) KCNQ1MEN1KMT2ALMNAMAPT
SCHEMBL4322757 0.87 GSTO1 (0.51) KCNQ1MEN1KMT2AMAPTKDM4E
SCHEMBL3603727 0.84 GSTO1 (0.60) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4330186 0.78 MAPT (0.69) MAPTNPC1RAB9ANPSR1
SCHEMBL3595657 0.78 PTGS2 (0.66) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4338181 0.77 MEN1 (0.48) MEN1KMT2AMAPTALDH1A1SMN1; SMN2
SCHEMBL3601789 0.76 KDM4E (0.60) MEN1KMT2ALMNAMAPTALDH1A1
SCHEMBL4324290 0.76 HSPA5 (0.52) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL10982710 0.75 MAPT (0.45) MEN1KMT2ALMNAMAPTALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO claimed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed
WO-2009146013-A1 MYOSIN LIGHT CHAIN PHOSPHATASE INHIBITORS GEORGETOWN UNIVERSITY (US) 2009-12-03 WO disclosed