SCHEMBL30899308

SCHEMBL30899308

COc1ccc(-c2nnc(-c3ccccc3)[nH]2)cc1S(=O)(=O)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.58
ALDH1A1 P00352 3/20 0.58
GAA P10253 2/20 0.58
MAPK1 P28482 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
BRD4 O60885 1/20 0.58
BRD2 P25440 1/20 0.58
BRD3 Q15059 1/20 0.58
MAPT P10636 1/20 0.54
NPC1 O15118 1/20 0.54
POLB P06746 1/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
KMT2A Q03164 1/20 0.49
LMNA P02545 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48

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
SCHEMBL24512331 1.00 KDM4E (0.58) KDM4EALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL24512246 0.87 CNR1 (0.46) KDM4EALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL29717111 0.86 CNR1 (0.64) KDM4EALDH1A1MAPK1SMN1; SMN2BRD4
SCHEMBL24512245 0.86 CNR1 (0.64) KDM4EALDH1A1MAPK1SMN1; SMN2BRD4
SCHEMBL24512267 0.84 ALDH1A1 (0.56) KDM4EALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL30899273 0.84 ALDH1A1 (0.56) KDM4EALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL30899304 0.82 KMT2A (0.50) KDM4EALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL24512335 0.82 KMT2A (0.50) KDM4EALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL24512119 0.81 GAA (0.46) KDM4EALDH1A1GAAMAPK1SMN1; SMN2
SCHEMBL24512144 0.81 CNR1 (0.60) KDM4EALDH1A1MAPK1SMN1; SMN2BRD4

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-117915903-A Compounds for the treatment of neurodegenerative, degenerative and metabolic disorders and uses thereof 佛罗里达大学研究基金会公司 2024-04-19 CN disclosed