SCHEMBL28543779

SCHEMBL28543779

CC(C)(C)C(Nc1ccc(Br)cn1)C(C)(C)OC(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.45
MAPT P10636 3/20 0.39
RAB9A P51151 10/20 0.39
NPC1 O15118 7/20 0.39
ALDH1A1 P00352 3/20 0.39
TP53 P04637 2/20 0.38
MAPK1 P28482 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
TSHR P16473 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL28546897 0.74 RAB9A (0.43) MAPTRAB9ANPC1ALDH1A1TP53
SCHEMBL17911708 0.72 FDPS (0.51) FDPSMAPTRAB9ANPC1ALDH1A1
SCHEMBL28543777 0.71 RAB9A (0.40) MAPTRAB9ANPC1ALDH1A1TP53
SCHEMBL283737 0.68 RAB9A (0.51) MAPTRAB9ANPC1ALDH1A1TP53
SCHEMBL29372377 0.68 RAB9A (0.51) MAPTRAB9ANPC1ALDH1A1TP53
SCHEMBL4208146 0.67 FDPS (0.55) FDPSMAPTRAB9ANPC1ALDH1A1
SCHEMBL28015608 0.67 NPC1 (0.49) MAPTRAB9ANPC1ALDH1A1TP53
SCHEMBL8104147 0.66 RAB9A (0.58) MAPTRAB9ANPC1ALDH1A1TP53
SCHEMBL15758463 0.66 RAB9A (0.46) FDPSMAPTRAB9ANPC1ALDH1A1
SCHEMBL2033431 0.65 RAB9A (0.55) MAPTRAB9ANPC1ALDH1A1TP53

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-112384509-A Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2021-02-19 CN disclosed