SCHEMBL28298086

SCHEMBL28298086

O=[N+]([O-])c1cccc2c1C=CN(C(CO)CO)C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.36
RAB9A P51151 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ACHE P22303 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
USP2 O75604 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL5509835 0.87 ALDH1A1 (0.37) GPR35RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL5139533 0.77 RAB9A (0.38) GPR35RAB9ATAS1R3TAS1R1TAS1R2
SCHEMBL28393356 0.75 TDP1 (0.39) GPR35TAS1R3TAS1R1TAS1R2LMNA
Bromide SCHEMBL11733192 0.74 SMN1; SMN2 (0.37) RAB9ATAS1R3TAS1R1TAS1R2LMNA
Hydrochloric Acid SCHEMBL11734144 0.73 TDP1 (0.41) GPR35TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL5073994 0.71 LMNA (0.36) GPR35TAS1R3TAS1R1TAS1R2LMNA
SCHEMBL11817643 0.66 TDP1 (0.45) GPR35RAB9AACHETDP1ALDH1A1
SCHEMBL5074055 0.64 CHRM2 (0.38) LMNA
SCHEMBL15173205 0.64 MAPT (0.46) LMNATDP1ALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL5074722 0.64 ALDH1A1 (0.40) RAB9ALMNATDP1ALDH1A1SMN1; SMN2

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-109790143-A Amine-linked C for target protein degradation3-glutarimide solution stator body C4医药公司 2019-05-21 CN disclosed