SCHEMBL28539858

SCHEMBL28539858

NC(=O)OCCCNc1ccc(Br)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.45
NPC1 O15118 5/20 0.45
TSHR P16473 1/20 0.43
GBA1 P04062 1/20 0.42
SSTR4 P31391 1/20 0.42
HCAR3 P49019 3/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ATM Q13315 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40

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
SCHEMBL28541779 0.92 HCAR3 (0.46) RAB9ANPC1TSHRHCAR3PKM
SCHEMBL28400972 0.81 LMNA (0.37) RAB9ANPC1
SCHEMBL28154048 0.77 GBA1 (0.41) RAB9ANPC1TSHRGBA1SSTR4
SCHEMBL10632091 0.76 HRH3 (0.47) RAB9ANPC1TSHRGBA1SSTR4
SCHEMBL28152938 0.76 RAB9A (0.50) RAB9ANPC1TSHRGBA1SSTR4
SCHEMBL28635345 0.75 HCAR3 (0.43) RAB9ANPC1TSHRHCAR3PKM
SCHEMBL31688980 0.74 TSHR (0.50) RAB9ANPC1TSHRPKMSMN1; SMN2
SCHEMBL15458128 0.74 ATM (0.46) RAB9ANPC1TSHRGBA1SSTR4
SCHEMBL26097018 0.74 TSHR (0.54) RAB9ANPC1TSHRHCAR3PKM
SCHEMBL2714323 0.73 TSHR (0.65) RAB9ANPC1TSHRHCAR3PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384509-B Furin inhibitors 葛兰素史密斯克莱知识产权发展有限公司 2024-04-30 CN disclosed
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