SCHEMBL30002641

SCHEMBL30002641

Cc1cccc2c1C(=O)C=C(N)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
MAPT P10636 5/20 0.47
CYP3A4 P08684 3/20 0.47
MAPK1 P28482 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 2/20 0.47
CYP1A2 P05177 2/20 0.47
HSPD1 P10809 2/20 0.47
HPGD P15428 2/20 0.47
CDC25A P30304 2/20 0.47
CDC25B P30305 2/20 0.47
BLM P54132 2/20 0.47
HSPE1 P61604 2/20 0.47
TST Q16762 2/20 0.47
RECQL P46063 2/20 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
SCHEMBL23271937 1.00 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4MAPK1SMN1; SMN2
SCHEMBL28371089 0.82 ADORA2A (0.57) ALDH1A1MAPTCYP3A4MAPK1SMN1; SMN2
SCHEMBL5805855 0.82 ALDH1A1 (0.68) ALDH1A1MAPTCYP3A4MAPK1SMN1; SMN2
SCHEMBL30594726 0.82 ADORA2A (0.57) ALDH1A1MAPTCYP3A4MAPK1SMN1; SMN2
SCHEMBL30002968 0.82 ALDH1A1 (0.68) ALDH1A1MAPTCYP3A4MAPK1SMN1; SMN2
SCHEMBL9627660 0.80 ALDH1A1 (0.44) ALDH1A1MAPTCYP3A4MAPK1SMN1; SMN2
SCHEMBL30003609 0.79 MAPT (0.64) ALDH1A1MAPTCYP3A4MAPK1SMN1; SMN2
SCHEMBL23271713 0.79 S100A4 (0.46) ALDH1A1MAPTCYP3A4MAPK1SMN1; SMN2
SCHEMBL16879125 0.79 MAPT (0.64) ALDH1A1MAPTCYP3A4MAPK1SMN1; SMN2
SCHEMBL30003616 0.79 S100A4 (0.46) ALDH1A1MAPTCYP3A4MAPK1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed