SCHEMBL4798725

SCHEMBL4798725

NN(C(=O)c1ccc(-c2ccccc2)cc1)c1nc(-c2cc3ccccc3oc2=O)cs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 1/20 0.54
CA12 O43570 10/20 0.52
CA9 Q16790 10/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
MIF P14174 1/20 0.49
SMN1; SMN2 Q16637 6/20 0.48
KDM4E B2RXH2 4/20 0.48
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.48
GLA P06280 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47

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
SCHEMBL4780542 0.90 CA12 (0.61) CSNK2A1CA12CA9MEN1KMT2A
SCHEMBL4780298 0.89 MIF (0.53) CSNK2A1CA12CA9MEN1KMT2A
SCHEMBL4784287 0.84 CA12 (0.51) CSNK2A1CA12CA9MEN1KMT2A
SCHEMBL4798176 0.80 GRM1 (0.55) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL3345136 0.77 MAPT (0.50) CSNK2A1CA12CA9RAB9ANPC1
SCHEMBL28026164 0.76 MAPT (0.55) CSNK2A1CA12CA9MEN1KMT2A
SCHEMBL3338338 0.76 CA12 (0.88) CSNK2A1CA12CA9MEN1KMT2A
SCHEMBL4800674 0.75 GRM1 (0.57) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL29427517 0.74 MIF (0.70) CSNK2A1CA12CA9MEN1KMT2A
SCHEMBL4797456 0.74 GRM1 (0.48) CSNK2A1MEN1KMT2ARAB9ANPC1

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 claimed