SCHEMBL530698

SCHEMBL530698

CC(C)(OC(N)=O)c1ccccc1N=Nc1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 5/20 0.38
MAPT P10636 6/20 0.35
NPC1 O15118 6/20 0.35
GAA P10253 3/20 0.35
MAPK1 P28482 2/20 0.35
KCNE1 P15382 1/20 0.35
KCNQ1 P51787 1/20 0.35
KDM4E B2RXH2 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
CASP3 P42574 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
SENP8 Q96LD8 1/20 0.34
RAB9A P51151 5/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 3/20 0.34
USP2 O75604 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL15643677 0.84 MAPT (0.40) MAPTNPC1MAPK1L3MBTL1MEN1
SCHEMBL723151 0.84 MAPT (0.40) MAPTNPC1MAPK1L3MBTL1MEN1
SCHEMBL29763577 0.78 MAPT (0.42) KCNN4MAPTMAPK1L3MBTL1MEN1
SCHEMBL4287836 0.72 GABRA1 (0.37) MAPTNPC1GAAKMT2ARAB9A
SCHEMBL7191113 0.72 TSHR (0.50) MAPTGAAKDM4EKMT2ASMN1; SMN2
SCHEMBL19026475 0.70 MAPT (0.36) KCNN4MAPTKMT2ALMNATDP1
SCHEMBL10518608 0.70 POLB (0.41) KCNN4MAPTNPC1GAAL3MBTL1
SCHEMBL1788771 0.70 KCNN4 (0.43) KCNN4MAPTGAAKCNE1KCNQ1
SCHEMBL7185639 0.69 ALDH1A1 (0.43) MAPTKDM4EKMT2ASMN1; SMN2LMNA
SCHEMBL28990619 0.69 KCNN4 (0.44) KCNN4KCNE1KCNQ1PARP10ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598170-A2 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO Smartcells, Inc. (US) 2013-06-05 EP disclosed
WO-2012015681-A2 DRUG-LIGAND CONJUGATES, SYNTHESIS THEREOF, AND INTERMEDIATES THERETO SMARTCELLS, INC. (US) 2012-02-02 WO disclosed