SCHEMBL30834320

SCHEMBL30834320

O=C(Nc1ccccc1)c1ccc(C(=O)Nc2ccccc2)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 1.00
KDM4E B2RXH2 1/20 1.00
NPC1 O15118 1/20 1.00
RAB9A P51151 1/20 1.00
P4HTM Q9NXG6 11/20 0.87
POLB P06746 2/20 0.68
MEN1 O00255 1/20 0.68
LMNA P02545 1/20 0.68
KMT2A Q03164 1/20 0.68
SMN1; SMN2 Q16637 1/20 0.68
PTPN1 P18031 1/20 0.59
HDAC2 Q92769 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58

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
SCHEMBL13210581 1.00 ALDH1A1 (1.00) ALDH1A1KDM4ENPC1RAB9AP4HTM
SCHEMBL9895324 0.93 P4HTM (1.00) ALDH1A1KDM4ENPC1RAB9AP4HTM
SCHEMBL6450288 0.91 ALDH1A1 (0.84) ALDH1A1KDM4ENPC1RAB9AP4HTM
SCHEMBL21646019 0.88 ALDH1A1 (0.78) ALDH1A1KDM4ENPC1RAB9AP4HTM
SCHEMBL2306301 0.86 RAB9A (0.76) ALDH1A1KDM4ENPC1RAB9AP4HTM
SCHEMBL6447200 0.85 ALDH1A1 (0.74) ALDH1A1KDM4ENPC1RAB9AP4HTM
SCHEMBL30834279 0.85 RAB9A (0.73) ALDH1A1KDM4ENPC1RAB9AP4HTM
SCHEMBL12707716 0.83 LMNA (0.73) ALDH1A1KDM4ENPC1RAB9AP4HTM
SCHEMBL24892187 0.83 RAB9A (0.71) ALDH1A1KDM4ENPC1RAB9AP4HTM
SCHEMBL21662065 0.83 ALDH1A1 (0.71) ALDH1A1KDM4ENPC1RAB9AP4HTM

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-117820776-A Polymer-based composite material with low dielectric constant and low dielectric loss, and preparation method and application thereof 四川大学 2024-04-05 CN claimed
CN-119039684-A Polymer-based PTC composite material based on pi-pi interaction, preparation method and application 四川大学 2024-11-29 CN disclosed