SCHEMBL3829457

SCHEMBL3829457

O=[N+]([O-])C=Cc1ccc(OCI)cc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 12/20 0.62
TLR4 O00206 2/20 0.58
TLR2 O60603 2/20 0.58
EGFR P00533 3/20 0.53
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
ATM Q13315 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ERBB2 P04626 2/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PTGS2 P35354 1/20 0.47

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
SCHEMBL17070027 0.84 FBP1 (0.64) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL16632344 0.83 PTGS2 (0.69) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL16632342 0.83 PTGS2 (0.69) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL17070015 0.83 FBP1 (0.62) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL509742 0.81 TLR4 (0.71) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL509743 0.81 TLR4 (0.71) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL17070028 0.81 FBP1 (0.60) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL16562025 0.79 FBP1 (0.57) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL6910815 0.79 FBP1 (0.78) FBP1TLR4TLR2EGFRALDH1A1
SCHEMBL6910818 0.79 FBP1 (0.78) FBP1TLR4TLR2EGFRALDH1A1

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
EP-2099794-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2009-09-16 EP disclosed
WO-2008079873-A2 THIAZOLYL COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-07-03 WO disclosed