SCHEMBL27601764

SCHEMBL27601764

COc1cc(NC(=O)NC(=O)c2ccc3nccnc3c2)ccc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.55
RAB9A P51151 8/20 0.55
NPC1 O15118 8/20 0.55
SMN1; SMN2 Q16637 7/20 0.55
TP53 P04637 4/20 0.55
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
POLB P06746 3/20 0.51
TSHR P16473 1/20 0.51
GAA P10253 4/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
KLK7 P49862 1/20 0.46

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
SCHEMBL5499030 0.89 MAPT (0.49) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL6503011 0.88 MAPT (0.52) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5496722 0.87 MAPT (0.51) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5492140 0.86 MAPT (0.47) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5487242 0.84 PYGL (0.54) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5491138 0.83 PYGL (0.52) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL6181468 0.81 SMN1; SMN2 (0.50) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5491191 0.81 MAPT (0.56) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5495384 0.81 RAB9A (0.56) MAPTRAB9ANPC1SMN1; SMN2TP53
SCHEMBL5496386 0.81 ACLY (0.52) MAPTRAB9ANPC1SMN1; SMN2TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1494539-A Antagonists of MCP-1 function and methods of use thereof ̩ 2004-05-05 CN claimed
CN-1494539-A Antagonists of MCP-1 function and methods of use thereof ̩ 2004-05-05 CN disclosed