SCHEMBL4338181

SCHEMBL4338181

CC(C)(C)c1ccc(S(=O)(=O)Oc2cccc(-c3csc(NC(=N)N)n3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PHGDH O43175 3/20 0.45
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.43
ATP4A P20648 2/20 0.43
ATP4B P51164 2/20 0.43
KDM1A O60341 1/20 0.42
MAOA P21397 1/20 0.42
CSNK2A1 P68400 1/20 0.41
ENPP1 P22413 1/20 0.41
ABL1 P00519 2/20 0.41
RECQL P46063 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
SCHEMBL4334954 0.89 MAPT (0.52) MEN1KMT2AALDH1A1RAB9AHTT
SCHEMBL4338179 0.81 ATP4A (0.61) NPC1RAB9AMAPTATP4AATP4B
SCHEMBL4324085 0.79 PHGDH (0.50) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4322757 0.79 GSTO1 (0.51) MEN1KMT2ARAB9ASMN1; SMN2MAPT
SCHEMBL3613302 0.78 ALDH1A1 (0.72) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4330190 0.77 KCNQ1 (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3608913 0.77 CCR4 (0.55) KMT2AALDH1A1RAB9AHPGDHTT
SCHEMBL3612059 0.74 MAPT (0.52) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL4330728 0.72 ADORA3 (0.48) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3604035 0.72 ATP4A (0.56) MEN1KMT2AALDH1A1NPC1RAB9A

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