SCHEMBL29090598

SCHEMBL29090598

CCOC(=O)C(=O)NC(CF)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.39
GAA P10253 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HTT P42858 1/20 0.36
GPR35 Q9HC97 3/20 0.35
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL29090602 0.83 TGFBR1 (0.44) EGLN1
SCHEMBL29090603 0.79 EGLN1 (0.46) EGLN1SMN1; SMN2MAPTGAATDP1
SCHEMBL1034918 0.72 SMN1; SMN2 (0.50) EGLN1SMN1; SMN2MAPTGAATDP1
SCHEMBL10900406 0.72
SCHEMBL25533465 0.70 SMN1; SMN2 (0.42) EGLN1SMN1; SMN2MAPTGAATDP1
SCHEMBL24424298 0.69 SMN1; SMN2 (0.47) EGLN1SMN1; SMN2MAPTGAATDP1
SCHEMBL6016763 0.69 SMN1; SMN2 (0.47) EGLN1SMN1; SMN2
SCHEMBL27490039 0.69 SMN1; SMN2 (0.47) EGLN1SMN1; SMN2
SCHEMBL22702628 0.69 SMN1; SMN2 (0.44) EGLN1SMN1; SMN2MAPTGAATDP1
SCHEMBL22693768 0.69 SMN1; SMN2 (0.44) EGLN1SMN1; SMN2MAPTGAATDP1

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-115551870-A Spirocyclic inhibitors of hepatitis B virus 圣拉斐尔医院有限公司 2022-12-30 CN disclosed