SCHEMBL30995481

SCHEMBL30995481

CC(C)CCCn1cc2ccc(Cl)cc2n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.35
KMT2A Q03164 1/20 0.34
PDE4D Q08499 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
BACE1 P56817 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NSD2 O96028 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PSEN1 P49768 4/20 0.33
PSEN2 P49810 4/20 0.33
APH1B Q8WW43 4/20 0.33
NCSTN Q92542 4/20 0.33
APH1A Q96BI3 4/20 0.33
PSENEN Q9NZ42 4/20 0.33
NUDT1 P36639 1/20 0.33
OPRL1 P41146 1/20 0.32
TLR7 Q9NYK1 1/20 0.32

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
SCHEMBL30995440 0.91 THRB (0.36) THRBKMT2ATDP1KDM4ENSD2
SCHEMBL30995434 0.89 THRB (0.33) THRBKMT2ATDP1HRH3BACE1
SCHEMBL30995439 0.84 KMT2A (0.46) THRBKMT2APDE4DMAPTTLR7
SCHEMBL30995487 0.82 TLR8 (0.42) THRBKMT2APDE4D
SCHEMBL30995445 0.81 ENPP2 (0.42) THRBKMT2AKDM4EPSEN1PSEN2
SCHEMBL30995464 0.80 THRB (0.41) THRBKMT2AKDM4ENSD2ALDH1A1
SCHEMBL30995468 0.78 THRB (0.36) THRBKMT2APDE4DBACE1RXFP1
SCHEMBL30995500 0.78 MAP4K4 (0.43) THRBKMT2AKDM4ENSD2ALDH1A1
SCHEMBL30995456 0.77 NOTUM (0.41) THRBKMT2ATDP1KDM4ENSD2
SCHEMBL203392 0.72 THRB (0.39) THRBKMT2APDE4D

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-118530224-A Pyrimidinone compound and application thereof 深圳安泰维生物医药有限公司 2024-08-23 CN disclosed