SCHEMBL30285372

SCHEMBL30285372

O=c1c2cc(Br)ccc2cnn1CC1CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.50
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 2/20 0.40
KMO O15229 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
DHFR P00374 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CACNA2D1 P54289 4/20 0.33
SIK1 P57059 1/20 0.33
SIK2 Q9H0K1 1/20 0.33
SIK3 Q9Y2K2 1/20 0.33
TP53 P04637 1/20 0.33
HBB P68871 1/20 0.33

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
SCHEMBL21333743 1.00 MAPT (0.50) MAPTNPC1RAB9AKMT2AKMO
SCHEMBL21351071 0.72 NPC1 (0.44) MAPTNPC1RAB9AKMT2AKMO
SCHEMBL5863449 0.72 ALDH1A1 (0.48) NPC1RAB9AALDH1A1
SCHEMBL38656212 0.71 NPC1 (0.43) MAPTNPC1RAB9AKMT2AKMO
SCHEMBL9146392 0.69 PKM (0.53) NPC1RAB9AKMT2AMEN1TDP1
SCHEMBL14965798 0.69 BRD4 (0.43) NPC1RAB9ATDP1ALDH1A1MITF
SCHEMBL6244218 0.68 FGFR1 (0.44) NPC1RAB9AKMT2AKMOMEN1
SCHEMBL5864145 0.68 ALDH1A1 (0.46) MAPTNPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL409341 0.67 MAPT (1.00) MAPTKMT2ASMN1; SMN2MEN1LMNA
SCHEMBL411024 0.67 MAPT (1.00) MAPTKMT2ASMN1; SMN2MEN1LMNA

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-111825656-B Inhibitors of protein arginine methyltransferase 5 (PRMT 5), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2023-03-31 CN disclosed