SCHEMBL24975433

SCHEMBL24975433

Cc1nc(C(F)(F)F)ncc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
STAT3 P40763 2/20 0.51
L3MBTL1 Q9Y468 3/20 0.46
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
LMNA P02545 3/20 0.44
BRD4 O60885 2/20 0.44
POLB P06746 1/20 0.44
ATP4A P20648 3/20 0.42
ATP4B P51164 3/20 0.42
LIPE Q05469 1/20 0.40
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39

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
SCHEMBL24975429 0.82 RXRA (0.45) L3MBTL1MAPTMAPK1TDP1LMNA
SCHEMBL24975432 0.82 PIN1 (0.40) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL2116065 0.80 HTT (0.58) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL24975462 0.78 SMN1; SMN2 (0.52) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL2116857 0.77 HTT (0.55) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL2117955 0.76 HTT (0.54) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL2116548 0.76 HTT (0.54) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL27438960 0.75 HTT (0.50) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL17904254 0.75 L3MBTL1 (0.47) HTTSMN1; SMN2STAT3L3MBTL1MAPT
SCHEMBL10371116 0.75 HTT (0.56) HTTSMN1; SMN2STAT3L3MBTL1MAPT

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-2023005894-A1 INHIBITOR COMPOUND FOR WNT PATHWAY 杭州阿诺生物医药科技有限公司 2023-02-02 WO disclosed