SCHEMBL30345721

SCHEMBL30345721

CN(C)c1ccnc(-c2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASIC3 Q9UHC3 1/20 0.53
HTR1A P08908 1/20 0.50
HTR7 P34969 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
TLR9 Q9NR96 1/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CTDSP1 Q9GZU7 1/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ABL1 P00519 2/20 0.43
BCR P11274 2/20 0.43
NPC1 O15118 1/20 0.43
USP2 O75604 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL1716712 1.00 ASIC3 (0.53) ASIC3HTR1AHTR7KDM4EALDH1A1
SCHEMBL18537302 0.85 ASIC3 (0.50) ASIC3HTR1AHTR7KDM4EALDH1A1
SCHEMBL196641 0.83 ALDH1A1 (0.53) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL27757723 0.82 MAPT (0.52) ASIC3HTR1AHTR7KDM4EALDH1A1
SCHEMBL30636788 0.81 KDM4E (0.54) KDM4EALDH1A1TP53SMN1; SMN2ABL1
SCHEMBL7966923 0.81 KDM4E (0.54) KDM4EALDH1A1TP53SMN1; SMN2ABL1
SCHEMBL6130724 0.81 ASIC3 (0.53) ASIC3HTR1AHTR7KDM4EALDH1A1
SCHEMBL18552083 0.81 ASIC3 (0.53) ASIC3HTR1AHTR7KDM4EALDH1A1
Bromide SCHEMBL27533012 0.79 KMT2A (0.54) ASIC3HTR1AHTR7KDM4EALDH1A1
SCHEMBL18910859 0.78 MEN1 (0.58) KDM4EALDH1A1TLR9KMT2AMEN1

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-119529236-A Epoxy resin composition, epoxy resin composition containing reinforcing fibers, prepreg, thermoplastic resin, and fiber-reinforced plastic 日铁化学材料株式会社 2025-02-28 CN disclosed
CN-113712964-B Application of 9,10 dihydrophenanthrene compound in preparation of coronavirus 3CL protease inhibitor 上海中医药大学 2023-04-07 CN disclosed