SCHEMBL19001206

SCHEMBL19001206

COc1ccc(CN(Sc2cc(Br)c(F)cc2F)c2nccs2)c(OC)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
HTR2A P28223 2/20 0.34
HTR2C P28335 1/20 0.34
GAA P10253 2/20 0.34
TSHR P16473 2/20 0.34
POLB P06746 2/20 0.33
APLNR P35414 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MAPK1 P28482 1/20 0.31
SLC6A4 P31645 1/20 0.31
KCNH2 Q12809 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
SCHEMBL19634090 0.89 HTR2A (0.38) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL20095558 0.87 GAA (0.41) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL20256717 0.85 POLB (0.37) MEN1KMT2AHTR2AHTR2CGAA
SCHEMBL20095534 0.84 HTR2A (0.36) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL20256506 0.84 MEN1 (0.38) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL20256546 0.82 KDM4E (0.36) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL20096203 0.82 GAA (0.40) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL20256792 0.81 HTR2A (0.36) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL19634121 0.80 MEN1 (0.36) MEN1KMT2ASCN1ASCN2ASCN3A
SCHEMBL20256502 0.80 CYP1A2 (0.38) MEN1KMT2AGAATSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3541373-B1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC (US) 2023-11-01 EP disclosed
WO-2018093694-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed
WO-2017106409-A1 DIAMINO-ALKYLAMINO-LINKED ARYLSULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME CORP. (US) 2017-06-22 WO disclosed