SCHEMBL29204604

SCHEMBL29204604

CCN(N)C(=O)c1ccc(C(=O)O)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 15/20 0.56
P4HA1 P13674 1/20 0.56
MIF P14174 1/20 0.56
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL28630671 0.83 P4HTM (0.58) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL19919862 0.75 P4HTM (0.66) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL29363410 0.73 P4HTM (1.00) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL70231 0.73 P4HTM (1.00) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL9621792 0.72 P4HTM (0.61) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL7832398 0.72 ALDH1A1 (0.56) L3MBTL1MAPK1ALDH1A1LMNAMAPT
SCHEMBL1585449 0.72 P4HTM (0.73) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL1978610 0.72 P4HTM (0.73) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL9341728 0.72 P4HTM (0.95) P4HTMP4HA1MIFKDM4EL3MBTL1
Pyridine-2,5-Dicarboxylic Acid SCHEMBL336436 0.72 P4HTM (0.95) P4HTMP4HA1MIFKDM4EL3MBTL1

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
CN-116354931-A Substituted oxazole derivative and application thereof in medicines 广东东阳光药业有限公司 2023-06-30 CN disclosed