SCHEMBL4433427

SCHEMBL4433427

O=[Mo+2]=O.S=C([S-])Nc1cnccn1.S=C([S-])Nc1cnccn1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 7/20 0.43
RAB9A P51151 7/20 0.43
NPC1 O15118 5/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 2/20 0.42
TSHR P16473 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 3/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL4501507 0.73 KMT2A (0.46) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4740932 0.73 KMT2A (0.46) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL1889092 0.73 BAZ2B (0.50) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5381046 0.72 KDM4E (0.69) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4437702 0.71 KDM4E (0.49) KDM4ERAB9ANPC1SMN1; SMN2MAPT
SCHEMBL1934753 0.71 RAB9A (0.57) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL30593991 0.71 RAB9A (0.57) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL20767994 0.70 RAB9A (0.49) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL25097159 0.69 KMT2A (0.54) KMT2AKDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5139472 0.69 KMT2A (0.54) KMT2AKDM4ERAB9ANPC1SMN1; SMN2

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
EP-2125762-B1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL INT RESEARCH (NL) 2013-12-11 EP disclosed
EP-2125762-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME Shell Internationale Research Maatschappij B.V. (NL) 2009-12-02 EP disclosed
WO-2008092944-A1 ORGANIC MOLYBDENUM COMPOUNDS AND OIL COMPOSITIONS CONTAINING THE SAME SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2008-08-07 WO disclosed