SCHEMBL25004728

SCHEMBL25004728

CNc1cccc(C(C)(F)F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 3/20 0.38
GALR3 O60755 1/20 0.38
STAT3 P40763 1/20 0.38
POLB P06746 4/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
PDK2 Q15119 1/20 0.36
EPHX2 P34913 4/20 0.35
HTT P42858 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
ULK1 O75385 1/20 0.34
RECQL P46063 2/20 0.33
HSD17B10 Q99714 2/20 0.33
SLC22A12 Q96S37 1/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 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
SCHEMBL31646292 0.86 EPHX2 (0.46) POLBMEN1KMT2APDK2EPHX2
SCHEMBL3872255 0.86 EPHX2 (0.46) POLBMEN1KMT2APDK2EPHX2
SCHEMBL19532816 0.86 CA2 (0.41) MAPTSMN1; SMN2LMNAGALR3STAT3
SCHEMBL23591206 0.82 SOS1 (0.36) MAPTSMN1; SMN2LMNAGALR3STAT3
SCHEMBL25477881 0.81 POLB (0.47) MAPTSMN1; SMN2LMNAGALR3STAT3
SCHEMBL5514195 0.78 MAPT (0.44) MAPTSMN1; SMN2LMNAPOLBMEN1
SCHEMBL24341933 0.77 EPHX2 (0.37) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL19533102 0.74 CA2 (0.46) MEN1KMT2AALDH1A1TDP1NPSR1
SCHEMBL8311149 0.72 PTGES2 (0.40) MAPTPOLBALDH1A1TDP1L3MBTL1
SCHEMBL9882817 0.72 GABRA1 (0.43) PDK2ALDH1A1CA1CA2CA9

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-2023011540-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION, AND APPLICATION THEREOF 苏州信诺维医药科技股份有限公司 2023-02-09 WO disclosed