SCHEMBL28928587

SCHEMBL28928587

CC(=O)Nc1cccc(-c2cnn(C3CCCCO3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.52
FGFR1 P11362 2/20 0.47
DDR2 Q16832 1/20 0.47
MAP3K7 O43318 1/20 0.45
TAB1 Q15750 1/20 0.45
PIP5K1C O60331 1/20 0.44
PIK3CA P42336 1/20 0.44
TTK P33981 1/20 0.43
MAPK8 P45983 1/20 0.43
FYN P06241 1/20 0.42
PIK3CD O00329 1/20 0.42
CYP17A1 P05093 1/20 0.42
CYP3A4 P08684 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
MAPT P10636 2/20 0.41
CHEK1 O14757 1/20 0.41
NEK2 P51955 1/20 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
SCHEMBL25226279 0.80 MCL1 (0.45) MCL1FGFR1DDR2MAP3K7TAB1
SCHEMBL13739332 0.78 RXRA (0.54) MCL1FGFR1DDR2KDM5BRXRA
SCHEMBL26132700 0.77 MCL1 (0.40) MCL1FGFR1DDR2MAP3K7TAB1
SCHEMBL30582740 0.77 MCL1 (0.43) MCL1FGFR1DDR2ALDH1A1KDM5B
SCHEMBL25225221 0.77 FGFR1 (0.49) MCL1FGFR1MAP3K7TAB1SMN1; SMN2
SCHEMBL28483450 0.77 MCL1 (0.49) MCL1FGFR1DDR2CYP3A4SMN1; SMN2
SCHEMBL19029753 0.76 MCL1 (0.45) MCL1FGFR1DDR2MEN1KMT2A
SCHEMBL29533406 0.75 KDM5B (0.47) MCL1FGFR1DDR2PIK3CAPIK3CD
SCHEMBL24892395 0.75 MCL1 (0.40) MCL1FGFR1DDR2MAPTAAK1
SCHEMBL23535723 0.74 MCL1 (0.45) MCL1FGFR1DDR2SMN1; SMN2NPC1

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