SCHEMBL30299532

SCHEMBL30299532

CC(C)c1cccc(C(C)C)c1Nc1ccccc1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
GAA P10253 5/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM1A O60341 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 2/20 0.44
BLM P54132 2/20 0.44
TP53 P04637 1/20 0.44
APP P05067 1/20 0.44
ALOX15 P16050 1/20 0.44
SNCA P37840 1/20 0.44

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
SCHEMBL2458400 1.00 MAPT (0.47) MAPTGAAKMT2AKDM4EMEN1
Hydrochloric Acid SCHEMBL31043542 0.98 MAPT (0.46) MAPTGAAKMT2AKDM4EMEN1
SCHEMBL6744857 0.86 LMNA (0.47) KMT2ALMNACYP1A2SMN1; SMN2HPGD
SCHEMBL31447156 0.86 LMNA (0.47) KMT2ALMNACYP1A2SMN1; SMN2HPGD
SCHEMBL2457495 0.85 MAPT (0.50) MAPTGAAKMT2AKDM4EMEN1
SCHEMBL24981758 0.83 GAA (0.43) MAPTGAAKMT2AKDM4EMEN1
SCHEMBL30053898 0.83 GAA (0.43) MAPTGAAKMT2AKDM4EMEN1
SCHEMBL20916267 0.80 GAA (0.42) MAPTGAAKMT2AKDM4EMEN1
SCHEMBL4804825 0.79 CXCL8 (0.44) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL15940333 0.79 KMT2A (0.40) MAPTGAAKMT2AKDM4EMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178449-A Organic electroluminescent material and device 环球展览公司 2023-05-30 CN disclosed
CN-109111487-B Organic electroluminescent material and device 环球展览公司 2023-04-11 CN disclosed