SCHEMBL4554503

SCHEMBL4554503

O=CCn1ncc2c([N+](=O)[O-])cccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.44
ALDH1A1 P00352 6/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NOS1 P29475 1/20 0.41
POLB P06746 1/20 0.39
MITF O75030 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ERN1 O75460 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
GAA P10253 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 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
SCHEMBL3686407 0.82 TDP1 (0.47) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL30861009 0.81 TDP1 (0.46) TDP1ALDH1A1LMNAHTTNOS1
SCHEMBL27228011 0.81 TDP1 (0.46) TDP1ALDH1A1LMNAHTTNOS1
SCHEMBL6118688 0.79 TDP1 (0.44) TDP1ALDH1A1LMNAHTTNOS1
SCHEMBL27227989 0.79 TDP1 (0.44) TDP1ALDH1A1LMNAHTTNOS1
SCHEMBL25290375 0.78 RECQL (0.53) TDP1ALDH1A1NOS1MAPTTSHR
SCHEMBL6117729 0.78 TDP1 (0.43) TDP1ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL2049090 0.78 RECQL (0.53) TDP1ALDH1A1NOS1MAPTTSHR
SCHEMBL30491733 0.78 RECQL (0.53) TDP1ALDH1A1NOS1MAPTTSHR
SCHEMBL15081284 0.78 TDP1 (0.43) TDP1ALDH1A1LMNAHTTNOS1

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-2057168-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2009-05-13 EP disclosed
WO-2008028141-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2008-03-06 WO disclosed