SCHEMBL28656408

SCHEMBL28656408

CC(=O)Nc1cccc(-c2cnn(-c3ccc(F)cc3F)c2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
PKM P14618 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ABL1 P00519 1/20 0.47
BCR P11274 1/20 0.47
LIPG Q9Y5X9 1/20 0.43
FYN P06241 4/20 0.43
FGFR1 P11362 2/20 0.43
USP7 Q93009 1/20 0.43
CHEK1 O14757 1/20 0.43
NEK2 P51955 1/20 0.43
MAPK15 Q8TD08 1/20 0.43
BRAF P15056 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41

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
SCHEMBL28655477 0.90 ABL1 (0.51) SMN1; SMN2GAAMAPTKDM4EALDH1A1
SCHEMBL28655500 0.85 NTRK1 (0.50) SMN1; SMN2MAPTKDM4EALDH1A1ABL1
SCHEMBL182131 0.79 MEN1 (0.54) ABL1BCRNPC1RAB9A
SCHEMBL19902125 0.76 NPC1 (0.46) L3MBTL1ABL1BCRNPC1RAB9A
SCHEMBL28669052 0.75 ALDH1A1 (0.55) SMN1; SMN2MAPTKDM4EALDH1A1FYN
SCHEMBL28668115 0.75 LMNA (0.49) MAPTALDH1A1PKMABL1BCR
SCHEMBL28658953 0.74 NTRK1 (0.48) MAPTALDH1A1MAPK1ABL1BCR
SCHEMBL28661013 0.73 FGFR3 (0.53) SMN1; SMN2MAPTKDM4EALDH1A1FYN
SCHEMBL182148 0.72 BCL2L1 (0.49) SMN1; SMN2GAAKDM4EMAPK1ABL1
SCHEMBL28656138 0.72 ABL1 (0.49) SMN1; SMN2MAPTKDM4EALDH1A1ABL1

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
CN-113692276-A NURR1 receptor modulators 加利福尼亚大学董事会 2021-11-23 CN disclosed