SCHEMBL4882626

SCHEMBL4882626

NN(C(=O)c1ccc2c(c1)OCO2)c1nc2c(s1)=CC1=CC=CCC=21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 7/20 0.36
RAB9A P51151 6/20 0.36
MAPT P10636 3/20 0.36
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
PTGER3 P43115 1/20 0.34
KDM4E B2RXH2 1/20 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
SCHEMBL3340590 0.78 MAPT (0.46) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL4801854 0.74 FLT3 (0.35) HPGDALDH1A1MAPK1MAPTKDM4E
SCHEMBL4882593 0.67 ADORA1 (0.44) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL7863728 0.65 ALDH1A1 (0.60) HPGDKMT2AMEN1ALDH1A1MAPK1
Hydrochloric Acid SCHEMBL11829820 0.64 ALDH1A1 (0.58) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL4799024 0.64 KMT2A (0.53) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL4960018 0.64
SCHEMBL31151793 0.62 HPGD (0.65) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL8573730 0.62 HPGD (0.65) HPGDKMT2AMEN1ALDH1A1MAPK1
SCHEMBL1822990 0.61 NPC1 (0.47) HPGDKMT2AMEN1ALDH1A1NPC1

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
WO-2008052804-A1 THIAZOLHYDRAZIDES FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2008-05-08 WO disclosed