SCHEMBL4845147

SCHEMBL4845147

Cc1sc(N(N)C(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 4/20 0.48
POLB P06746 2/20 0.48
KMT2A Q03164 8/20 0.46
MEN1 O00255 6/20 0.46
PKM P14618 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPT P10636 2/20 0.46
HTT P42858 2/20 0.46
RARA P10276 2/20 0.46
RARB P10826 2/20 0.46
RARG P13631 2/20 0.46
ALOX5 P09917 2/20 0.43
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
LMNA P02545 2/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
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
SCHEMBL4732214 0.85 MEN1 (0.50) MAPK1POLBKMT2AMEN1PKM
SCHEMBL3341333 0.82 KMT2A (0.42) MAPK1KMT2AMEN1PKMNPSR1
SCHEMBL4732495 0.78 MAPT (0.56) MAPK1POLBKMT2AMEN1ALDH1A1
SCHEMBL3337610 0.74 KMT2A (0.59) MAPK1POLBKMT2AMEN1PKM
SCHEMBL11674649 0.71 CRHBP (0.59) MAPK1POLBKMT2AMEN1NPSR1
Ammonia Solution, Strong SCHEMBL8550166 0.68 ALDH1A1 (0.51) MAPK1KMT2AMEN1PKMNPSR1
SCHEMBL11135292 0.68 ALDH1A1 (0.62) MAPK1POLBKMT2AMEN1NPSR1
SCHEMBL3341845 0.68 MAPT (0.60) MAPK1POLBKMT2AMEN1ALDH1A1
SCHEMBL28723024 0.68 CES1 (0.66) MAPK1POLBKMT2AMEN1NPSR1
SCHEMBL9805952 0.67 POLB (1.00) MAPK1POLBKMT2AALDH1A1MAPT

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