SCHEMBL8599833

SCHEMBL8599833

CN(C)C(=O)Nn1cc(C(=O)O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
AKR1C1 Q04828 1/20 0.44
PLK1 P53350 4/20 0.42
NR4A2 P43354 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 3/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
THRB P10828 1/20 0.39

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
SCHEMBL28624569 0.72 SMN1; SMN2 (0.54) NR4A2ALDH1A1KMT2APOLBMEN1
SCHEMBL535878 0.71 POLB (0.72) NR4A2ALDH1A1KMT2AKDM4EPOLB
SCHEMBL29965768 0.71 POLB (0.72) NR4A2ALDH1A1KMT2AKDM4EPOLB
SCHEMBL12168490 0.71 MAPT (0.57) PLK1ALDH1A1KMT2AKDM4EPOLB
SCHEMBL2082208 0.70 CA12 (0.52) AKR1C3AKR1C1PLK1ALDH1A1KMT2A
SCHEMBL28087228 0.70 LMNA (0.55) KDM4ELMNA
SCHEMBL8836604 0.70 FABP4 (0.51) ALDH1A1KMT2AKDM4EPOLBMEN1
Hydrochloric Acid SCHEMBL2434452 0.69 POLB (0.70) NR4A2ALDH1A1KMT2APOLBMEN1
SCHEMBL7778085 0.69 PLK1 (0.46) AKR1C3AKR1C1PLK1ALDH1A1KMT2A
SCHEMBL14118735 0.69 ALDH1A1 (0.50) AKR1C3AKR1C1PLK1ALDH1A1KDM4E

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
EP-0821685-A1 INDOLE-3-CARBONYL AND INDOLE-3-SULFONYL DERIVATIVES AS PLATELET ACTIVATING FACTOR ANTAGONISTS ABBOTT LABORATORIES (US) 1998-02-04 EP disclosed