SCHEMBL30452460

SCHEMBL30452460

COC(=O)c1ccc(OC)c(C(C(N)=O)c2ccc(Cl)nn2)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KMT2A Q03164 7/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MGLL Q99685 1/20 0.38
LMNA P02545 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ATM Q13315 1/20 0.36
USP2 O75604 1/20 0.36
HTT P42858 1/20 0.36
PDE4D Q08499 1/20 0.36
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2C9 P11712 1/20 0.35
NLRP3 Q96P20 1/20 0.35

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
SCHEMBL23879245 1.00 MAPT (0.44) MAPTKMT2AGLAMEN1SMN1; SMN2
SCHEMBL30452606 1.00 MAPT (0.44) MAPTKMT2AGLAMEN1SMN1; SMN2
SCHEMBL30452491 0.90 CA12 (0.47) MAPTKMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL23879266 0.90 CA12 (0.47) MAPTKMT2ASMN1; SMN2RAB9ALMNA
SCHEMBL4318037 0.83 MAPT (0.37) MAPTKMT2AGLAMEN1SMN1; SMN2
SCHEMBL23879232 0.81 ALDH1A1 (0.49) MAPTKMT2AGLAMEN1SMN1; SMN2
SCHEMBL30452578 0.81 ALDH1A1 (0.49) MAPTKMT2AGLAMEN1SMN1; SMN2
SCHEMBL23879233 0.74 PLAU (0.37) MAPTKMT2ASMN1; SMN2LMNANPSR1
SCHEMBL30452681 0.74 PLAU (0.37) MAPTKMT2ASMN1; SMN2LMNANPSR1
SCHEMBL23879240 0.73 TSHR (0.41) MAPTKMT2AMEN1SMN1; SMN2LMNA

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-111253404-B Nitrogen-containing heterocyclic compound and composition, preparation method and application thereof 上海医药集团股份有限公司 2023-05-23 CN disclosed