SCHEMBL21623745

SCHEMBL21623745

Cc1nc(SCc2ccc(F)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.54
MDM2 Q00987 1/20 0.54
PKM P14618 1/20 0.47
HTT P42858 1/20 0.44
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.43
ABCB1 P08183 1/20 0.42
TXNRD1 Q16881 1/20 0.42
GAA P10253 1/20 0.41
SOS1 Q07889 1/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HSP90AA1 P07900 1/20 0.39

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
SCHEMBL21623768 0.84 MDM2 (0.48) SMN1; SMN2MDM2PKMHTTPOLB
SCHEMBL3254366 0.74 ALDH1A1 (0.71) POLBTDP1MAPTTXNRD1ALDH1A1
SCHEMBL5321454 0.73 MAPT (0.57) SMN1; SMN2MDM2MEN1KMT2ATDP1
SCHEMBL21623748 0.70 ALDH1A1 (0.39) SMN1; SMN2MDM2POLBMEN1KMT2A
SCHEMBL12466455 0.70 ALDH1A1 (0.39) SMN1; SMN2MDM2POLBMEN1KMT2A
SCHEMBL21623756 0.70 MAPT (0.45) SMN1; SMN2MDM2MEN1KMT2AMAPT
SCHEMBL21623764 0.70 HTT (0.50) SMN1; SMN2MDM2PKMHTTPOLB
SCHEMBL21623731 0.69 MEN1 (0.51) SMN1; SMN2POLBMEN1KMT2AMAPT
SCHEMBL21623750 0.69 KMT2A (0.48) SMN1; SMN2PKMPOLBMEN1KMT2A
SCHEMBL2258709 0.69 TSHR (0.44) SMN1; SMN2MEN1KMT2ATDP1MAPT

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-2020016297-A1 THIOETHERS AS MODULATORS OF KV7.2/KV7.3 CHANNELS Universität Greifswald (DE) 2020-01-23 WO disclosed