SCHEMBL17257752

SCHEMBL17257752

CC(O[C]=O)c1cc2c(cc1[N+](=O)[O-])COO2

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SRC P12931 1/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL22658035 0.83 ALDH1A1 (0.34) ALDH1A1LMNASRC
SCHEMBL4527628 0.81 ALDH1A1 (0.40) ALDH1A1LMNASRCMAPTMEN1
SCHEMBL17257753 0.80 MAPT (0.54) ALDH1A1LMNASRCMAPTMEN1
SCHEMBL125664 0.80 MAPT (0.54) ALDH1A1LMNASRCMAPTMEN1
SCHEMBL28954076 0.76 SRC (0.42) ALDH1A1LMNASRCMAPTMEN1
SCHEMBL121875 0.71 CYP3A4 (0.47) ALDH1A1LMNAMAPTMEN1POLB
SCHEMBL6687306 0.70 MAPT (0.35) ALDH1A1LMNAMAPTMEN1POLB
SCHEMBL11697167 0.69 MAPT (0.44) ALDH1A1LMNAMAPTMEN1POLB
SCHEMBL3913753 0.68 TSHR (0.51) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL702623 0.68 TDP1 (0.46) ALDH1A1LMNAMAPTMEN1KMT2A

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
US-20150328616-A1 SURFACE MEDIATED SYNTHESIS OF POLYNUCLEOTIDES, POLYPEPTIDES AND POLYSACCHARIDES AND RELATED MATERIALS, METHODS AND SYSTEMS CALIFORNIA INSTITUTE OF TECHNOLOGY 2015-11-19 US disclosed