SCHEMBL29547883

SCHEMBL29547883

O=C(NCCNC(=O)c1ccccc1)NCc1cccs1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.80
LMNA P02545 2/20 0.68
ALDH1A1 P00352 4/20 0.56
PKM P14618 3/20 0.56
HTT P42858 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
MAPT P10636 1/20 0.56
HSD17B10 Q99714 1/20 0.56
THRB P10828 1/20 0.56
RAB9A P51151 4/20 0.55
NPC1 O15118 2/20 0.55
TAAR1 Q96RJ0 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
POLB P06746 1/20 0.54
USP2 O75604 1/20 0.53

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
SCHEMBL2234130 0.89 HPGD (1.00) HPGDLMNAALDH1A1PKMHTT
Hydrochloric Acid SCHEMBL28152221 0.88 HPGD (0.97) HPGDLMNAALDH1A1PKMHTT
SCHEMBL14142610 0.84 LMNA (0.80) HPGDLMNAALDH1A1PKMHTT
SCHEMBL2653237 0.83 RAB9A (0.76) HPGDLMNAALDH1A1MAPTRAB9A
SCHEMBL27322979 0.82 LMNA (0.68) HPGDLMNAALDH1A1PKMHTT
SCHEMBL14484111 0.81 HPGD (0.82) HPGDLMNAALDH1A1PKMHTT
SCHEMBL6077138 0.80 LMNA (0.65) HPGDLMNAALDH1A1PKMHTT
SCHEMBL6076622 0.79 LMNA (0.70) HPGDLMNAALDH1A1PKMHTT
SCHEMBL29411040 0.79 HPGD (0.66) HPGDLMNAALDH1A1MAPTRAB9A
Hydrochloric Acid SCHEMBL23012775 0.79 LMNA (0.63) HPGDLMNAALDH1A1PKMHTT

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-114302881-A Compounds useful in the treatment and prevention of muscle atrophy and other conditions 沃尔克·亚当斯 2022-04-08 CN claimed