SCHEMBL4334954

SCHEMBL4334954

CC(C)(C)c1ccc(S(=O)(=O)Oc2ccc(-c3csc(NC(=N)N)n3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RECQL P46063 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.45
ENPP1 P22413 5/20 0.44
ENPP3 O14638 4/20 0.44
CCR4 P51679 1/20 0.43
MAPK1 P28482 1/20 0.43
ENPP2 Q13822 1/20 0.42
KCNQ1 P51787 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
KDM1A O60341 1/20 0.41
MAOA P21397 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
SCHEMBL4322757 0.90 GSTO1 (0.51) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL4330190 0.89 KCNQ1 (0.53) MAPTKDM4ERAB9AALDH1A1MEN1
SCHEMBL4338181 0.89 MEN1 (0.48) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL4324085 0.87 PHGDH (0.50) MAPTKDM4ERAB9AALDH1A1MEN1
SCHEMBL3608913 0.85 CCR4 (0.55) MAPTKDM4ERAB9AALDH1A1KMT2A
SCHEMBL4330728 0.81 ADORA3 (0.48) MAPTKDM4ERAB9AALDH1A1MEN1
SCHEMBL4334951 0.80 ATP4A (0.58) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL4324290 0.76 HSPA5 (0.52) MAPTKDM4ERAB9AMEN1KMT2A
SCHEMBL3595657 0.75 PTGS2 (0.66) MAPTRAB9AALDH1A1MEN1KMT2A
SCHEMBL3601789 0.74 KDM4E (0.60) MAPTKDM4ERAB9AALDH1A1MEN1

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
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