SCHEMBL31000396

SCHEMBL31000396

CC(=O)Nc1ccc(Cl)cc1C(=O)[13c]1[13cH][13cH][13cH][13cH][13cH]1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.72
ALDH1A1 P00352 3/20 0.72
LMNA P02545 2/20 0.72
KDM4E B2RXH2 1/20 0.69
HSD17B10 Q99714 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.66
TP53 P04637 3/20 0.65
CYP1A2 P05177 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
SERPINE1 P05121 1/20 0.62
GAA P10253 2/20 0.60
THRB P10828 1/20 0.59

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
SCHEMBL11827090 1.00 MAPT (0.72) MAPTALDH1A1LMNAKDM4EHSD17B10
SCHEMBL22386325 0.88 MAPT (0.67) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL11843933 0.88 MAPT (0.57) MAPTALDH1A1LMNAKDM4EHSD17B10
SCHEMBL11822995 0.87 KDM4E (0.63) MAPTALDH1A1LMNAKDM4EHSD17B10
SCHEMBL11571840 0.86 MAPT (0.86) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL27611956 0.86 MAPT (0.72) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL19253255 0.86 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL13263480 0.86 SMN1; SMN2 (0.71) MAPTALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL30661117 0.86 MAPT (0.64) MAPTALDH1A1LMNASMN1; SMN2TP53
SCHEMBL31384417 0.86 MAPT (0.67) MAPTALDH1A1LMNAKDM4ESMN1; SMN2

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-118290353-A Preparation method of stable isotope labeled diazepam 司法鉴定科学研究院 2024-07-05 CN disclosed