SCHEMBL5082430

SCHEMBL5082430

[O-][S+]([Zn][S+]([O-])c1ccccn1)c1ccccn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.39
LMNA P02545 4/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
P4HTM Q9NXG6 2/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
NOS3 P29474 1/20 0.36

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
SCHEMBL1573687 0.78 KDM4E (0.43) KDM4ELMNACCR1CCR5CCR8
SCHEMBL29181146 0.74
SCHEMBL30837415 0.74
SCHEMBL20048805 0.74
SCHEMBL6970710 0.74
SCHEMBL3254805 0.74
SCHEMBL2759539 0.74
SCHEMBL5034185 0.71 KDM4E (0.38) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2733513 0.70 KDM4E (0.36) KDM4ELMNACCR1CCR5CCR8
SCHEMBL4687369 0.70 LMNA (0.36) KDM4ELMNACCR1CCR5CCR8

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
US-20080226928-A1 HYDROPHILIC MEMBER AND PROCESS FOR PRODUCING THE SAME FUJIFILM CORPORATION (JP) 2008-09-18 US disclosed
WO-1988009173-A1 DRY, RAPIDLY SOLUBLE, COMPOSITIONS OF beta-LACTAM ANTIBIOTICS AKZO N.V. (NL) 1988-12-01 WO disclosed