SCHEMBL19199532

SCHEMBL19199532

COCc1cc(O)c(O)c(C(=O)O)c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCE Q02156 3/20 0.50
TDP1 Q9NUW8 3/20 0.45
MYLK Q15746 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PRKCG P05129 1/20 0.45
MAPT P10636 1/20 0.45
PRKCA P17252 1/20 0.45
APEX1 P27695 1/20 0.45
RECQL P46063 1/20 0.45
KMT2A Q03164 1/20 0.45
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TPMT P51580 1/20 0.38
PKM P14618 1/20 0.38
CDK2 P24941 2/20 0.37
COMT P21964 3/20 0.36
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
SNCA P37840 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
SCHEMBL19199670 0.89 PRKCE (0.47) PRKCETDP1MYLKMEN1ALDH1A1
SCHEMBL5590085 0.85 CA1 (0.41) TDP1MEN1ALDH1A1MAPTRECQL
SCHEMBL19199629 0.83 MEN1 (0.56) PRKCETDP1MYLKMEN1ALDH1A1
SCHEMBL19199329 0.82 CA1 (0.41) TDP1MEN1ALDH1A1MAPTRECQL
SCHEMBL5587114 0.81 PTPN1 (0.49) CA1CA2COMTSNCAPTPN1
SCHEMBL5587190 0.79 BID (0.43) MAPTCOMTPTPN1PTPN11ALOX15
SCHEMBL5590143 0.78 BID (0.48) MAPTPTPN1ALOX15KDM4E
SCHEMBL19199511 0.77 CA1 (0.44) PRKCETDP1MEN1ALDH1A1MAPT
SCHEMBL5588659 0.77 BID (0.50) MAPTPTPN1ALOX15KDM4E
SCHEMBL5590466 0.77 BID (0.50) MAPTPTPN1ALOX15KDM4E

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
WO-2017132484-A1 PHOTO-CLEAVABLE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 WO disclosed