SCHEMBL8867764

SCHEMBL8867764

CCOc1ccc(N(C)C(=O)C(C)Br)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
MAOB P27338 1/20 0.44
NQO1 P15559 1/20 0.44
PARP10 Q53GL7 1/20 0.44
RAB9A P51151 2/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
ATM Q13315 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.43
ACACB O00763 4/20 0.43
PLK1 P53350 1/20 0.41

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
SCHEMBL8867157 0.86 LMNA (0.51) LMNAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL3832407 0.78 ALDH1A1 (0.77) LMNAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL11929142 0.78 LMNA (0.52) LMNAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL8866953 0.78 ALDH1A1 (0.49) LMNAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL8006543 0.77 PARP10 (0.58) LMNAALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL12083098 0.76 MLYCD (0.42) LMNAALDH1A1MAPTSMN1; SMN2HTT
SCHEMBL7497496 0.74 KMT2A (0.46) LMNASMN1; SMN2POLBL3MBTL1HTT
SCHEMBL5743825 0.73 PARP10 (0.58) LMNAALDH1A1SMN1; SMN2L3MBTL1NQO1
SCHEMBL7417927 0.73 NQO1 (0.50) LMNAALDH1A1POLBNQO1PARP10
SCHEMBL9872013 0.73 NQO1 (0.54) LMNAALDH1A1MAPTMAPK1SMN1; 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
US-5614637-A Process for preparing 1,3-dialkyl-5-hydroxyoxindoles and the ether derivatives thereof BOEHRINGER INGELHEIM KG (DE) 1997-03-25 US disclosed