SCHEMBL5311656

SCHEMBL5311656

CC(CCc1ccccc1)(NC(=O)O)c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2S(C)(=O)=O)n1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.37
KMT2A Q03164 2/20 0.37
EGLN1 Q9GZT9 2/20 0.36
ALDH1A1 P00352 2/20 0.35
EGLN2 Q96KS0 1/20 0.34
EPHX2 P34913 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
KCNE1 P15382 1/20 0.33
CCR1 P32246 1/20 0.33
KCNQ1 P51787 1/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
POLB P06746 1/20 0.32
P2RX7 Q99572 1/20 0.32
SLC16A3 O15427 1/20 0.32

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
SCHEMBL5252169 0.85 DDR1 (0.40) DDR1KMT2AEGLN1EGLN2EPHX2
SCHEMBL5304414 0.82 DDR1 (0.38) DDR1KMT2AALDH1A1EPHX2TRPV1
SCHEMBL5129686 0.82 KCNA5 (0.42) DDR1KMT2AEGLN1EGLN2EPHX2
SCHEMBL2203635 0.81 DDR1 (0.42) DDR1EPHX2KCNE1CCR1KCNQ1
SCHEMBL5128894 0.79 DDR1 (0.41) DDR1EGLN1EGLN2EPHX2KCNE1
Trifluoroacetic Acid SCHEMBL5127989 0.71 DDR1 (0.38) DDR1EGLN1EGLN2EPHX2
SCHEMBL5258740 0.71 DDR1 (0.38) DDR1EPHX2TRPV1SMN1; SMN2POLB
SCHEMBL6645834 0.71 DDR1 (0.38) DDR1EPHX2TRPV1KCNE1CCR1
SCHEMBL13998917 0.71 DDR1 (0.36) DDR1EGLN1ALDH1A1EPHX2P2RX7
SCHEMBL5251193 0.71 KCNE1 (0.47) KMT2AEGLN1ALDH1A1KCNE1CCR1

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-1441734-B1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ANGELETTI P IST RICHERCHE BIO (IT) 2007-02-28 EP claimed