SCHEMBL2925832

SCHEMBL2925832

N#CCc1cccc(OCc2ccc([N+](=O)[O-])cc2F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MAOB P27338 5/20 0.46
MAOA P21397 3/20 0.44
GAA P10253 1/20 0.41
CTSV O60911 2/20 0.40
CTSL P07711 2/20 0.40
PTGES O14684 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38

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
SCHEMBL30152301 0.82 ENPP2 (0.47) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL1401653 0.80 SMN1; SMN2 (0.48) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL2815195 0.77 ALDH1A1 (0.47) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL29780594 0.77 ALDH1A1 (0.47) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL8596113 0.77 MAOB (0.56) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL8598664 0.76 TSHR (0.46) MEN1MAPTKMT2AL3MBTL1ALDH1A1
SCHEMBL30963179 0.74 MAPT (0.51) MEN1MAPTKMT2AALDH1A1POLB
SCHEMBL347820 0.74 TSHR (0.61) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL29034464 0.74 MAPT (0.53) MEN1MAPTKMT2AALDH1A1LMNA
SCHEMBL30963150 0.71 F2RL3 (0.51) MEN1MAPTKMT2AALDH1A1MAOB

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-1553097-B1 QUINAZOLINE DERIVATIVES AS ANGIOGENESIS INHIBITORS AND INTERMEDIATES THEREFORE ASTRAZENECA AB (SE) 2010-09-29 EP disclosed