SCHEMBL28705169

SCHEMBL28705169

Cc1cnc(C(=O)O)n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.53
TSHR P16473 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.49
POLB P06746 3/20 0.46
KDM4E B2RXH2 3/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
USP2 O75604 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
NR4A1 P22736 1/20 0.46
APEX1 P27695 1/20 0.46
APOBEC3A P31941 1/20 0.46
RECQL P46063 1/20 0.46
HIF1A Q16665 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
TDP1 Q9NUW8 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
SCHEMBL28710514 0.79 HPGDS (0.55) NOTUMTSHRSMN1; SMN2LMNAPOLB
SCHEMBL28026195 0.78 CYP2C19 (0.59) NOTUMTSHRSMN1; SMN2LMNAPOLB
SCHEMBL28706161 0.76 HSD17B10 (0.43) NOTUMTSHRSMN1; SMN2LMNAMEN1
SCHEMBL16136292 0.74 GFER (0.46) NOTUMTSHRSMN1; SMN2LMNAKMT2A
SCHEMBL3037128 0.73 MAPT (0.46) NOTUMTSHRSMN1; SMN2LMNAPOLB
SCHEMBL19111415 0.72 KDM4E (0.44) NOTUMTSHRSMN1; SMN2LMNAPOLB
SCHEMBL16133641 0.71 MAPT (0.46) NOTUMTSHRSMN1; SMN2LMNAPOLB
SCHEMBL9638903 0.71 AR (0.43) NOTUMTSHRSMN1; SMN2LMNAPOLB
SCHEMBL1713531 0.70 SMN1; SMN2 (0.55) NOTUMTSHRSMN1; SMN2LMNAPOLB
SCHEMBL4418297 0.70 HPGDS (0.51) NOTUMTSHRSMN1; SMN2LMNAPOLB

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-114230522-A Imidazole-2-carboxylic acid metal beta-lactamase inhibitor and preparation method and application thereof 四川大学 2022-03-25 CN disclosed