SCHEMBL28543777

SCHEMBL28543777

CC(C)(C)CC(C)(CNc1ccc(Br)cn1)OC(N)=O

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.40
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
NPC1 O15118 7/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
PKM P14618 2/20 0.39
GAA P10253 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37

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 0.86 RAB9A (0.43) RAB9AMAPTTSHRNPC1ATM
SCHEMBL12932912 0.78 NPC1 (0.49) RAB9AMAPTTSHRNPC1ATM
SCHEMBL21564436 0.74 LATS1 (0.43) RAB9AMAPTTSHRNPC1ATM
SCHEMBL29890985 0.74 LATS1 (0.43) RAB9AMAPTTSHRNPC1ATM
SCHEMBL1435912 0.73 NPC1 (0.46) RAB9AMAPTTSHRNPC1ATM
SCHEMBL21551229 0.73 TSHR (0.48) RAB9AMAPTTSHRNPC1SMN1; SMN2
SCHEMBL31407474 0.72 RAB9A (0.45) RAB9AMAPTTSHRNPC1ATM
SCHEMBL12295518 0.72 RAB9A (0.45) RAB9AMAPTTSHRNPC1ATM
SCHEMBL28543779 0.71 FDPS (0.45) RAB9AMAPTTSHRNPC1ATM
SCHEMBL28541779 0.70 HCAR3 (0.46) RAB9AMAPTTSHRNPC1ATM

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