SCHEMBL30600563

SCHEMBL30600563

C=C(O)C1C(=O)N(C)c2ccc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.44
LMNA P02545 3/20 0.44
PDE3A Q14432 1/20 0.44
PDE4D Q08499 3/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HTR2B P41595 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
WDR5 P61964 1/20 0.36
AADAT Q8N5Z0 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CFTR P13569 1/20 0.36

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
SCHEMBL28701831 1.00 OPRK1 (0.44) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL28700922 0.83 KMT2A (0.45) LMNAALDH1A1KMT2AMEN1AADAT
SCHEMBL28685073 0.77 MEN1 (0.55) LMNAALDH1A1KMT2AMEN1AADAT
SCHEMBL23892731 0.76 AADAT (0.42) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL28226709 0.74 CHEK1 (0.53) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL10743139 0.72 MEN1 (0.40) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL8785808 0.71 OPRK1 (0.44) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL11466184 0.70 OPRK1 (0.43) OPRK1LMNAPDE3APDE4DCHRM2
SCHEMBL9156773 0.70 EGFR (0.41) LMNACA12CA2CA4CA7
SCHEMBL18189471 0.69 KMT2A (0.52) OPRK1LMNAPDE3APDE4DCHRM2

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-113999158-B 3- (1-hydroxyalkylene) indolone and preparation method thereof 延边大学 2023-08-01 CN disclosed