SCHEMBL21240720

SCHEMBL21240720

O=S(=O)([O-])OS(=O)(=O)[O-].[Fe+2].c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 10/20 0.47
SKP2 Q13309 10/20 0.47
GLO1 Q04760 4/20 0.47
TOP2A P11388 2/20 0.46
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
DAPK3 O43293 1/20 0.40
JAK2 O60674 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
CSF1R P07333 1/20 0.40
RET P07949 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
PRKACA P17612 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL23607786 0.83 TOP2A (0.47) CKS1BSKP2GLO1TOP2AIKBKB
Sulfuric Acid SCHEMBL11349184 0.82 TOP2A (0.51) CKS1BSKP2GLO1TOP2AIKBKB
Benzene SCHEMBL28095234 0.82 IKBKB (0.53) CKS1BSKP2GLO1TOP2AIKBKB
SCHEMBL28859500 0.82 IKBKB (0.53) CKS1BSKP2GLO1TOP2AIKBKB
SCHEMBL28868 0.82 IKBKB (0.53) CKS1BSKP2GLO1TOP2AIKBKB
Bicarbonate SCHEMBL28398978 0.80 TOP2A (0.56) CKS1BSKP2GLO1TOP2AIKBKB
Hydrochloric Acid SCHEMBL17396321 0.80 IKBKB (0.52) CKS1BSKP2GLO1TOP2AIKBKB
Ammonia Solution, Strong SCHEMBL17396339 0.80 IKBKB (0.52) CKS1BSKP2GLO1TOP2AIKBKB
Hydrochloric Acid SCHEMBL21643628 0.80 IKBKB (0.52) CKS1BSKP2GLO1TOP2AIKBKB
Hydrochloric Acid SCHEMBL5385347 0.80 IKBKB (0.52) CKS1BSKP2GLO1TOP2AIKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994385-B1 CHANGED CONDITION INDICATOR COOPERMAN ISADORE (US) 2019-08-14 EP disclosed