SCHEMBL31377488

SCHEMBL31377488

CCOC(=O)c1cc2c(Cl)nc3cc(Br)ccc3n2c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.43
ATM Q13315 1/20 0.43
ELANE P08246 3/20 0.43
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADORA2B P29275 4/20 0.42
SIRT2 Q8IXJ6 2/20 0.41
GRM5 P41594 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SIRT1 Q96EB6 1/20 0.39

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
SCHEMBL31377505 1.00 MAPT (0.43) MAPTATMELANELMNAALDH1A1
SCHEMBL31377439 0.86 ATM (0.43) MAPTATMELANELMNAALDH1A1
SCHEMBL31377504 0.84 SIRT2 (0.42) MAPTATMELANELMNAALDH1A1
SCHEMBL31377447 0.77 MAPT (0.46) MAPTELANELMNAALDH1A1SMN1; SMN2
SCHEMBL3790281 0.74 ALDH1A1 (0.51) MAPTLMNAALDH1A1SMN1; SMN2SIRT2
SCHEMBL31377415 0.74 SIRT2 (0.45) MAPTATMELANELMNAALDH1A1
SCHEMBL31377412 0.74 TP53 (0.48) MAPTATMELANELMNAALDH1A1
SCHEMBL18548712 0.72 ALDH1A1 (0.49) MAPTATMELANELMNAALDH1A1
SCHEMBL29660237 0.72 ALDH1A1 (0.49) MAPTATMELANELMNAALDH1A1
SCHEMBL14492426 0.72 ALDH1A1 (0.54) MAPTATMLMNAALDH1A1SMN1; SMN2

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