SCHEMBL24324494

SCHEMBL24324494

C=C(CC)C(=O)NCc1ccncc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.58
▸ RAB9A P51151 2/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ LMNA P02545 5/20 0.51
▸ MAPT P10636 4/20 0.51
▸ GAA P10253 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPK1 P28482 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.49
▸ HSD17B10 Q99714 1/20 0.47

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
SCHEMBL24323271 0.83 ALDH1A1 (0.56) L3MBTL1LMNAMAPTGAASMN1; SMN2
SCHEMBL3842161 0.83 HTT (0.61) HTTRAB9AL3MBTL1LMNAMAPT
SCHEMBL1027588 0.83 HTT (0.66) HTTRAB9AL3MBTL1LMNAMAPT
SCHEMBL29783179 0.82 RAB9A (0.73) HTTRAB9AL3MBTL1LMNAMAPT
SCHEMBL10163741 0.79 HTT (0.70) HTTRAB9AL3MBTL1LMNAMAPT
SCHEMBL1286082 0.79 GAA (0.62) HTTRAB9ALMNAMAPTGAA
SCHEMBL361384 0.77 SMN1; SMN2 (0.63) HTTRAB9AL3MBTL1LMNAMAPT
SCHEMBL13130715 0.76 HTT (0.66) HTTRAB9AL3MBTL1LMNAMAPT
SCHEMBL25433129 0.76 MDM2 (0.52) HTTRAB9AL3MBTL1LMNAGAA
SCHEMBL805287 0.76 RAB9A (0.61) HTTRAB9AL3MBTL1LMNAMAPT

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
EP-3452453-B1 MODULATORS OF THE INTEGRATED STRESS PATHWAY CALICO LIFE SCIENCES LLC (US) 2022-04-13 — — EP disclosed
Send feedback