SCHEMBL25840311

SCHEMBL25840311

CC(=O)NC(F)(F)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 2/20 0.44
NPC1 O15118 1/20 0.44
XBP1 P17861 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
KCNN4 O15554 3/20 0.44
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.40
PLOD2 O00469 1/20 0.39
HSD11B1 P28845 1/20 0.39
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.37
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37

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
SCHEMBL25840308 0.82 KCNN4 (0.44) KMT2AMAPTMEN1HTTMAPK1
SCHEMBL13626314 0.80 MEN1 (0.49) KMT2ASMN1; SMN2MAPTMEN1HTT
SCHEMBL8384266 0.72 KDM4E (0.53) KMT2AMAPTMEN1TSHRKDM4E
SCHEMBL13427572 0.70 KCNN4 (0.61) KMT2ASMN1; SMN2MAPTMEN1HTT
SCHEMBL8920573 0.70 RAB9A (0.49) KMT2ASMN1; SMN2MAPTMEN1HTT
Acetone SCHEMBL27946364 0.69 CES2 (0.58) KMT2AMAPTMEN1NPC1RAB9A
SCHEMBL9768982 0.68 KMT2A (0.48) KMT2ASMN1; SMN2MAPTMEN1HTT
SCHEMBL20312568 0.68 MEN1 (0.48) KMT2ASMN1; SMN2MAPTMEN1HTT
SCHEMBL25460835 0.68 NPC1 (0.44) KMT2ASMN1; SMN2MAPTMEN1HTT
SCHEMBL1851604 0.68 PDE2A (0.48) HTTLMNACES2CES1

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-2023125825-A1 ANTICORONVIRAL COMPOUNDS AND COMPOSITIONS AND USES THEREOF SHANGHAI CUREGENE PHARMACEUTICAL CO., LTD. (CN) 2023-07-06 WO disclosed