SCHEMBL30401488

SCHEMBL30401488

O=C(O)c1cc(F)cnc1N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.48
TP53 P04637 4/20 0.46
OPRK1 P41145 2/20 0.44
KMO O15229 1/20 0.44
THRB P10828 1/20 0.44
PIK3CA P42336 2/20 0.43
KDM4E B2RXH2 2/20 0.43
PKM P14618 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
PDE4B Q07343 1/20 0.41
PIK3R1 P27986 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL18395133 1.00 POLB (0.48) POLBTP53OPRK1KMOTHRB
SCHEMBL18412768 0.87 ALDH1A1 (0.51) TP53OPRK1THRBPIK3CAKDM4E
SCHEMBL24611900 0.87 AURKA (0.48) TP53OPRK1THRBPIK3CAKDM4E
SCHEMBL30402068 0.87 AURKA (0.48) TP53OPRK1THRBPIK3CAKDM4E
SCHEMBL18394825 0.83 TP53 (0.49) TP53OPRK1THRBKDM4EALDH1A1
SCHEMBL17478763 0.82 OPRK1 (0.60) POLBTP53OPRK1KMOPIK3CA
SCHEMBL17478716 0.82 PRKAB2 (0.50) POLBTP53OPRK1KMOTHRB
SCHEMBL24611941 0.82 POLB (0.48) POLBTP53OPRK1KMOPIK3CA
SCHEMBL18394680 0.82 SCN10A (0.50) KDM4EALDH1A1
SCHEMBL18394397 0.80 ALOX15 (0.55) POLBTP53OPRK1PIK3CAKDM4E

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-111386118-B Combination pharmaceutical agents as RSV inhibitors 英安塔制药有限公司 2023-05-09 CN disclosed