SCHEMBL24824482

SCHEMBL24824482

Cc1oc2ncccc2c(=O)c1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
NPC1 O15118 3/20 0.42
HSP90AA1 P07900 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 2/20 0.39
CYP1B1 Q16678 1/20 0.39
NCOA1 Q15788 1/20 0.36
ALDH2 P05091 1/20 0.35
CYP19A1 P11511 1/20 0.34
MAPT P10636 1/20 0.33
RAB9A P51151 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KAT2B Q92831 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
SCHEMBL12812465 0.87 NPC1 (0.50) KDM4EALDH1A1NPC1HSP90AA1L3MBTL1
Formamide SCHEMBL19579786 0.81 KDM4E (0.44) KDM4EALDH1A1NPC1HSP90AA1L3MBTL1
SCHEMBL12914543 0.81 KDM4E (0.75) KDM4EALDH1A1NPC1HSP90AA1L3MBTL1
SCHEMBL19233664 0.74 HSP90AA1 (0.45) KDM4EALDH1A1NPC1HSP90AA1L3MBTL1
SCHEMBL1707885 0.74 KDM4E (0.43) KDM4EALDH1A1NPC1HSP90AA1L3MBTL1
SCHEMBL2521419 0.73 KDM4E (1.00) KDM4EALDH1A1NPC1NCOA1MAPT
SCHEMBL30947375 0.73 KDM4E (1.00) KDM4EALDH1A1NPC1NCOA1MAPT
SCHEMBL30863308 0.73 KDM4E (1.00) KDM4EALDH1A1NPC1NCOA1MAPT
SCHEMBL11218315 0.72 KDM4E (0.47) KDM4EALDH1A1CYP19A1
SCHEMBL8558621 0.72 KDM4E (0.67) KDM4EALDH1A1NPC1NCOA1MAPT

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
WO-2022267945-A1 METHOD FOR PREPARING PRANOPROFEN AND COMPOSITION CONTAINING PRANOPROFEN AND IMPURITY 沈阳兴齐眼药股份有限公司 2022-12-29 WO disclosed