SCHEMBL11262847

SCHEMBL11262847

CCOC(=O)c1cnc2n(c1=O)C(C)CCC2=C1SCCS1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
HPGD P15428 6/20 0.43
HSD17B10 Q99714 6/20 0.43
ALDH1A1 P00352 5/20 0.43
GAA P10253 5/20 0.43
GLA P06280 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 2/20 0.43
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
PKM P14618 1/20 0.43
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 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
SCHEMBL11295979 0.87 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL11090997 0.79 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1GAA
Hydrochloric Acid SCHEMBL11089322 0.78 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL11113730 0.78 KDM4E (0.43) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL11105472 0.75 KDM4E (0.48) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL11106301 0.75 KDM4E (0.46) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL11112511 0.74 KDM4E (0.47) KDM4EHPGDHSD17B10ALDH1A1GAA
Hydrochloric Acid SCHEMBL11250255 0.74 KDM4E (0.39) KDM4EHPGDHSD17B10ALDH1A1GAA
Hydrochloric Acid SCHEMBL11250253 0.74 KDM4E (0.39) KDM4EHPGDHSD17B10ALDH1A1GAA
SCHEMBL18586472 0.74 KDM4E (0.49) KDM4EHPGDHSD17B10ALDH1A1GAA

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-4321377-A ANALGESICS, TRANQULIZERS, ANTIARTHERISOSCLEROTIC AGENTS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1982-03-23 US disclosed