SCHEMBL8701537

SCHEMBL8701537

CC1=NC(C)(c2cccc3ccccc23)C(=O)O1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.36
CYP2A6 P11509 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
BRD4 O60885 1/20 0.35
KIF11 P52732 1/20 0.34
SLC6A3 Q01959 5/20 0.34
SLC6A4 P31645 4/20 0.34
SLC6A2 P23975 3/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
FNTA P49354 2/20 0.34
FNTB P49356 2/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL8699621 0.77 MAPT (0.43) MEN1KMT2AMAPTALDH1A1NPSR1
SCHEMBL7662936 0.73 MMP2 (0.37) KMT2AALDH1A1LMNA
SCHEMBL8209492 0.66 CTSD (0.37) MEN1KMT2AMAPTMAPK1ALDH1A1
SCHEMBL7061778 0.66 SLC6A3 (0.43) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL29161410 0.65 KDM4E (0.40) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL980483 0.65 MAPT (0.39) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL31616911 0.65 MAPT (0.43) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL542713 0.65 PTGER3 (0.49) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL15413549 0.65 MAPT (0.43) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL28240863 0.64 MEN1 (0.53) MEN1KMT2AMAPTKDM4EMAPK1

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-5712312-A MELATONINERGIC RECEPTOR LIGANDS, TREATMENT OF SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-01-27 US disclosed