SCHEMBL29979429

SCHEMBL29979429

FC(F)(F)c1cccc(-c2ccccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.60
CTSS P25774 1/20 0.54
IDO1 P14902 1/20 0.53
KMO O15229 2/20 0.52
GRM5 P41594 1/20 0.51
MAOB P27338 2/20 0.50
KDM1A O60341 1/20 0.50
ALDH1A1 P00352 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
KMT2A Q03164 1/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PDCD1 Q15116 1/20 0.49
CD274 Q9NZQ7 1/20 0.49
SCN2A Q99250 2/20 0.49
CBFB Q13951 1/20 0.49

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
SCHEMBL4025464 1.00 TGFBR1 (0.60) TGFBR1CTSSIDO1KMOGRM5
SCHEMBL4033214 0.98 TGFBR1 (0.59) TGFBR1CTSSIDO1KMOGRM5
SCHEMBL13878868 0.85 MAPK1 (0.52) TGFBR1GRM5L3MBTL1LMNACBFB
SCHEMBL30090584 0.85 NPC1 (0.52) TGFBR1GRM5KDM1AL3MBTL1LMNA
SCHEMBL4577045 0.85 NPC1 (0.52) TGFBR1GRM5KDM1AL3MBTL1LMNA
SCHEMBL14073533 0.85 TRPV1 (0.53) TGFBR1GRM5CBFBSMN1; SMN2TRPV1
SCHEMBL4404606 0.82 KIF11 (0.56) TGFBR1CTSSGRM5ALDH1A1L3MBTL1
SCHEMBL30153625 0.82 KIF11 (0.56) TGFBR1CTSSGRM5ALDH1A1L3MBTL1
SCHEMBL9874816 0.81 CTSK (0.51) TGFBR1CTSSIDO1KMOGRM5
SCHEMBL502867 0.80 KDM4E (0.62) GRM5ALDH1A1L3MBTL1LMNAMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115160354-A Method for efficiently synthesizing aryl silicon compound 南阳师范学院 2022-10-11 CN claimed
EP-4540258-A1 CATALYST The University of Manchester (GB) 2025-04-23 EP disclosed
CN-117430549-A Method for preparing isonicotinic acid compound by taking carbon dioxide as carboxyl source 南开大学 2024-01-23 CN disclosed
WO-2023247563-A1 CATALYST THE UNIVERSITY OF MANCHESTER (GB) 2023-12-28 WO disclosed
CN-115160354-A Method for efficiently synthesizing aryl silicon compound 南阳师范学院 2022-10-11 CN disclosed