SCHEMBL28620672

SCHEMBL28620672

CSc1nc2cc(-c3ccc(-c4ccccc4)cc3)c3ccccc3c2[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
XDH P47989 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
ACACA Q13085 2/20 0.40
PRKAG1 P54619 2/20 0.40
PRKAA2 P54646 2/20 0.40
PRKAB1 Q9Y478 2/20 0.40
MAPK14 Q16539 1/20 0.40
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
EGFR P00533 1/20 0.38
PPARG P37231 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NCOR2 Q9Y618 1/20 0.38

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
SCHEMBL12309133 0.76 PRKAG1 (0.67) HPGDKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL2356903 0.76 PRKAG1 (0.48) HPGDKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL28620422 0.74 HPGD (0.48) HPGDKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL203874 0.71 MAPK14 (0.42) HPGDKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL290937 0.69 KDM4E (0.46) HPGDKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL290313 0.68 MAOB (0.62) HPGDKDM4EALDH1A1LMNAMAPK1
SCHEMBL29831694 0.68 MAOB (0.62) HPGDKDM4EALDH1A1LMNAMAPK1
SCHEMBL18731749 0.66 CYP1A2 (0.58) HPGDKDM4EALDH1A1ACACAEGFR
SCHEMBL11350593 0.66 SMN1; SMN2 (0.57) HPGDKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL21709364 0.66 HPGD (0.52) HPGDKDM4EALDH1A1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113347972-B Methods and formulations for treating mitochondrial dysfunction 利兰·斯坦福青年大学托管委员会 2025-04-29 CN disclosed
CN-113347972-A Methods and formulations for treating mitochondrial dysfunction 利兰·斯坦福青年大学托管委员会 2021-09-03 CN disclosed