SCHEMBL31377447

SCHEMBL31377447

CCOC(=O)c1cc2c(NCc3ccc(OC)cc3)nc3cc(Br)ccc3n2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
GAA P10253 2/20 0.44
NPC1 O15118 2/20 0.43
NLRP3 Q96P20 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
ALDH1A1 P00352 3/20 0.42
TP53 P04637 2/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAOB P27338 1/20 0.41
ELANE P08246 1/20 0.40
SLC26A6 Q9BXS9 4/20 0.39
P2RY12 Q9H244 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL31377473 0.91 MAPT (0.47) MAPTGAANPC1NLRP3SMN1; SMN2
SCHEMBL31377529 0.87 NPSR1 (0.44) MAPTGAANPC1NLRP3SMN1; SMN2
SCHEMBL31377553 0.84 MAPT (0.42) MAPTGAANPC1NLRP3SMN1; SMN2
SCHEMBL31377424 0.83 KLKB1 (0.46) MAPTGAANPC1NLRP3SMN1; SMN2
SCHEMBL31377542 0.83 MAPT (0.43) MAPTGAANPC1NLRP3SMN1; SMN2
SCHEMBL31377484 0.83 MAPT (0.41) MAPTGAANPC1NLRP3SMN1; SMN2
SCHEMBL31377488 0.77 MAPT (0.43) MAPTNPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL31377439 0.77 ATM (0.43) MAPTGAANPC1SMN1; SMN2KDM4E
SCHEMBL31377505 0.77 MAPT (0.43) MAPTNPC1SMN1; SMN2KDM4EALDH1A1
SCHEMBL31377504 0.75 SIRT2 (0.42) MAPTNPC1SMN1; SMN2KDM4EALDH1A1

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-119219640-A Nitrogen-containing ternary condensed ring derivative and application thereof 杭州百新生物医药科技有限公司 2024-12-31 CN disclosed