SCHEMBL29930952

SCHEMBL29930952

O=C(O)c1cc(F)ccc1N1CCCCC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
GAA P10253 5/20 0.54
HTT P42858 2/20 0.54
KDM4E B2RXH2 4/20 0.53
PKM P14618 1/20 0.52
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 4/20 0.47
MEN1 O00255 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
GFER P55789 1/20 0.47
YWHAG P61981 1/20 0.47
KMT2A Q03164 1/20 0.47
KEAP1 Q14145 1/20 0.47
NPC1 O15118 3/20 0.46
HPGD P15428 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
SCHEMBL23611740 1.00 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL28965486 0.98 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL3825337 0.87 GAA (0.50) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL29239530 0.84 GAA (0.46) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL29805092 0.84 LMNA (0.50) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL17478873 0.84 GAA (0.65) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL20141454 0.84 LMNA (0.50) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL28965421 0.83 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL3828922 0.83 KDM4E (0.46) ALDH1A1SMN1; SMN2GAAHTTKDM4E
SCHEMBL23611761 0.81 KDM4E (0.58) ALDH1A1SMN1; SMN2GAAHTTKDM4E

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
EP-4085056-A1 POLYCYCLIC AMIDES AS UBE2K MODULATORS FOR TREATING CANCER Berg LLC (US) 2022-11-09 EP disclosed
CN-115210229-A Polycyclic amides as UBE2K modulators for the treatment of cancer 博格有限责任公司 2022-10-18 CN disclosed