SCHEMBL4945657

SCHEMBL4945657

N#Cc1cc([N+](=O)[O-])ccc1-c1ccc(-c2sccc2N)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.45
ALDH1A1 P00352 7/20 0.43
LMNA P02545 4/20 0.43
XDH P47989 1/20 0.40
GAA P10253 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
CRHBP P24387 1/20 0.38
HTT P42858 1/20 0.38
CRHR2 Q13324 1/20 0.38
THRB P10828 1/20 0.38
IKBKB O14920 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
CYP3A4 P08684 3/20 0.36
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35

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
SCHEMBL4950460 0.90 VCAM1 (0.42) VCAM1ALDH1A1LMNAXDHGAA
SCHEMBL5077502 0.86 ALDH1A1 (0.43) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL8140554 0.81 VCAM1 (0.60) VCAM1ALDH1A1LMNAXDHGAA
SCHEMBL4953419 0.80 PTGS1 (0.39) ALDH1A1LMNAMEN1MAPTKMT2A
SCHEMBL4948327 0.79 STS (0.49) ALDH1A1GAAKDM4E
SCHEMBL4950454 0.78 PTGS1 (0.50)
SCHEMBL4948367 0.78 ESR2 (0.43) MEN1KMT2A
SCHEMBL4667310 0.76 VCAM1 (0.54) VCAM1ALDH1A1LMNAXDHGAA
SCHEMBL9373575 0.76 VCAM1 (0.54) VCAM1ALDH1A1LMNAGAASMN1; SMN2
SCHEMBL7023145 0.76 VCAM1 (0.57) VCAM1ALDH1A1LMNAGAASMN1; SMN2

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-1893597-B1 AMPA RECEPTOR POTENTIATORS LILLY CO ELI (US) 2008-11-12 EP disclosed