SCHEMBL29655470

SCHEMBL29655470

N#[13C]C(Cl)CNc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DNM1 Q05193 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB1 P08588 1/20 0.34
ADRB3 P13945 1/20 0.34
TRPA1 O75762 1/20 0.33
SGMS2 Q8NHU3 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL28732795 1.00 MAPT (0.41) MAPTALDH1A1HTTSMN1; SMN2DNM1
SCHEMBL11227788 0.79 ALDH1A1 (0.43) MAPTALDH1A1HTTSMN1; SMN2DNM1
SCHEMBL8372603 0.76 MAPT (0.48) MAPTALDH1A1HTTSMN1; SMN2DNM1
SCHEMBL10500366 0.76 MAPT (0.49) MAPTALDH1A1HTTSMN1; SMN2DNM1
SCHEMBL1337104 0.76 MAPT (0.44) MAPTALDH1A1HTTSMN1; SMN2DNM1
SCHEMBL11873771 0.74 MAPT (0.37) MAPTALDH1A1HTTSMN1; SMN2DNM1
SCHEMBL28047683 0.71 MAPT (0.51) MAPTALDH1A1HTTSMN1; SMN2DNM1
SCHEMBL11211213 0.69 L3MBTL1 (0.46) MAPTALDH1A1HTTSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL11779392 0.69 MAPT (0.50) MAPTALDH1A1HTTSMN1; SMN2DNM1
SCHEMBL5257356 0.68 MAPT (0.48) MAPTALDH1A1HTTSMN1; SMN2DNM1

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-113620811-B Halogenation method of aromatic compound 中国科学院兰州化学物理研究所 2022-05-24 CN disclosed