SCHEMBL8325463

SCHEMBL8325463

COc1ccc(CN(C)CC(=O)O)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.63
ALDH1A1 P00352 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PYCR1 P32322 1/20 0.54
BCHE P06276 2/20 0.54
TDP1 Q9NUW8 2/20 0.51
TSHR P16473 2/20 0.50
MAPK1 P28482 1/20 0.50
LDHA P00338 1/20 0.50
USP2 O75604 1/20 0.50
SIGMAR1 Q99720 1/20 0.49
APLNR P35414 1/20 0.49
TAS2R14 Q9NYV8 1/20 0.48

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
SCHEMBL18942071 0.86 ALDH1A1 (0.54) ACHEALDH1A1MEN1KMT2AHTT
SCHEMBL2309992 0.85 ACHE (0.57) ACHEALDH1A1MEN1KMT2AGAA
SCHEMBL4611890 0.81 PYCR1 (0.69) ACHEALDH1A1MEN1KMT2AHTT
SCHEMBL17083311 0.80 PYCR1 (0.50) ALDH1A1MEN1KMT2AGAAPYCR1
SCHEMBL304452 0.80 RAB9A (0.55) ACHEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL14805302 0.79 KDM4E (0.60) ACHEALDH1A1SMN1; SMN2BCHEMAPK1
SCHEMBL16590371 0.79 KMT2A (0.57) ALDH1A1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL14831985 0.79 LTA4H (0.47) ACHEMEN1KMT2ASMN1; SMN2PYCR1
Hydrochloric Acid SCHEMBL5760483 0.78 RAB9A (0.53) ACHEALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL3484433 0.78 TDP1 (0.60) ACHEALDH1A1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4355748-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2024-04-24 EP disclosed
CN-117881681-A Substituted pyrrolo [2,3-d ] pyrimidines, their preparation and their therapeutic use 赛诺菲 2024-04-12 CN disclosed
WO-2022263472-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES, THEIR PREPARATION AND THEIR THERAPEUTIC APPLICATION SANOFI (FR) 2022-12-22 WO disclosed
EP-0888347-A1 PHARMACEUTICALLY USEFUL COMPOUNDS Astra Pharmaceuticals Limited (GB) 1999-01-07 EP disclosed
WO-1997034893-A1 PHARMACEUTICALLY USEFUL COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-09-25 WO disclosed