SCHEMBL8321910

SCHEMBL8321910

[O-][S+](c1ccccc1)n1cc(I)c2cc(-c3ccccc3Oc3ccccc3)cnc21

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CAMKK2 Q96RR4 3/20 0.42
▸ FYN P06241 2/20 0.39
▸ IGF1R P08069 6/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ NCOA1 Q15788 1/20 0.35
▸ NCOA3 Q9Y6Q9 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ TEK Q02763 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ GRM5 P41594 1/20 0.32

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
SCHEMBL8324146 0.82 SCN9A (0.36) BRD4GRM5
SCHEMBL13609250 0.81 BRD4 (0.47) CAMKK2FYNIGF1RBRD4PTGS2
SCHEMBL18902075 0.77 BRD4 (0.34) BRD4
SCHEMBL1487602 0.76 BRD4 (0.56) CAMKK2FYNIGF1RBRD4PTGS2
SCHEMBL18902127 0.76 JAK2 (0.35) TSHR
SCHEMBL13745928 0.74 CAMKK2 (0.41) CAMKK2FYNIGF1RBRD4NCOA1
SCHEMBL8323355 0.72 CAMKK2 (0.61) CAMKK2IGF1R
SCHEMBL1487961 0.69 CAMKK2 (0.67) CAMKK2IGF1R
SCHEMBL13609200 0.67 BRD4 (0.44) CAMKK2FYNBRD4
SCHEMBL13745654 0.66 BRD4 (0.55) CAMKK2BRD4MAOB

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
WO-2004078756-A2 JNK INHIBITORS EISAI CO., LTD. (JP) 2004-09-16 — — WO disclosed
Send feedback