SCHEMBL28544503

SCHEMBL28544503

CC(=O)Oc1nc2ccc(C(=O)O)cc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.61
ESR2 Q92731 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
APEX1 P27695 1/20 0.51
CHEK2 O96017 5/20 0.50
NR4A2 P43354 1/20 0.50
ALDH1A1 P00352 3/20 0.49
MLKL Q8NB16 3/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
HPGD P15428 1/20 0.49
ABL1 P00519 1/20 0.49
FABP6 P51161 1/20 0.49
EGLN1 Q9GZT9 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL28544499 0.88 RAB9A (0.47) HSP90AA1ESR2TDP1SMN1; SMN2NPSR1
SCHEMBL28581585 0.77 HDAC6 (0.52) CHEK2GAA
SCHEMBL29924530 0.76 TDP1 (1.00) HSP90AA1ESR2TDP1SMN1; SMN2NPSR1
SCHEMBL27978054 0.76 TDP1 (0.66) HSP90AA1ESR2TDP1SMN1; SMN2NPSR1
SCHEMBL6670248 0.76 LMNA (0.53) SMN1; SMN2NPSR1ALDH1A1RAB9APOLB
SCHEMBL1758956 0.76 TDP1 (1.00) HSP90AA1ESR2TDP1SMN1; SMN2NPSR1
SCHEMBL4076911 0.76 TDP1 (0.66) HSP90AA1ESR2TDP1SMN1; SMN2NPSR1
SCHEMBL1261208 0.76 ABL1 (0.72) HSP90AA1ESR2TDP1SMN1; SMN2NPSR1
SCHEMBL28050836 0.76 ALDH1A1 (0.59) TDP1SMN1; SMN2ALDH1A1MAPK1RAB9A
SCHEMBL28813920 0.75 FABP6 (0.51) TDP1SMN1; SMN2RAB9AFABP6EGLN1

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-112969802-A Multiplex fluorescence detection of analytes 伊鲁米那股份有限公司 2021-06-15 CN disclosed
CN-112654614-A Tertiary amine substituted coumarin compounds and their use as fluorescent markers 伊卢米纳剑桥有限公司 2021-04-13 CN disclosed