SCHEMBL29696608

SCHEMBL29696608

N#Cc1cn(Cc2ccccc2)c2ccccc2c1=O

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.78
▸ SMN1; SMN2 Q16637 3/20 0.78
▸ MEN1 O00255 2/20 0.78
▸ KMT2A Q03164 2/20 0.78
▸ TDP1 Q9NUW8 2/20 0.78
▸ TSHR P16473 1/20 0.78
▸ KDM4E B2RXH2 1/20 0.61
▸ HTT P42858 1/20 0.61
▸ HSD17B10 Q99714 1/20 0.61
▸ LMNA P02545 1/20 0.59
▸ MAPT P10636 1/20 0.55
▸ STAT3 P40763 1/20 0.54
▸ SNCA P37840 1/20 0.52
▸ P2RX4 Q99571 1/20 0.51
▸ ADORA1 P30542 1/20 0.51
▸ CNR2 P34972 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ SIRT2 Q8IXJ6 1/20 0.50

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
SCHEMBL28454974 1.00 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL5462258 0.90 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL5463490 0.89 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL27957392 0.88 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL5452268 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL23674627 0.77 LMNA (0.64) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL30100786 0.77 LMNA (0.64) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL28017046 0.77 SMN1; SMN2 (0.78) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL28571267 0.75 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1
SCHEMBL2487702 0.75 LMNA (0.67) ALDH1A1SMN1; SMN2MEN1KMT2ATDP1

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-111533729-B Tetrazole-substituted quinolinone derivative and preparation method and application thereof 盐城工学院 2022-07-26 — — CN disclosed
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