SCHEMBL8566004

SCHEMBL8566004

C=CS(=O)(=O)c1cccc(C(=O)N(c2ccc3cccc(O)c3c2)S(=O)(=O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 1/20 0.36
KMT2A Q03164 2/20 0.34
MAPK1 P28482 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.32
AKR1C3 P42330 1/20 0.32
ERN1 O75460 1/20 0.31
TP53 P04637 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL8568600 0.70 NSD2 (0.54) NSD2KMT2AMAPK1MAPTCTDSP1
Formaldehyde SCHEMBL11771665 0.68 HSD17B10 (0.49) NSD2KMT2AMAPK1GAAMAPT
SCHEMBL31401470 0.67 F2 (0.54) MAPTAKR1C3CA1CA2CYP2C19
SCHEMBL14058948 0.67 CTDSP1 (0.52) NSD2KMT2AMAPK1GAAMAPT
SCHEMBL5892385 0.67 CTDSP1 (0.52) NSD2KMT2AMAPK1GAAMAPT
SCHEMBL6561268 0.67 APEX1 (0.43) NSD2KMT2AGAAMAPTTDP1
SCHEMBL8781814 0.66 HSD17B10 (0.50) NSD2KMT2AMAPK1GAAMAPT
SCHEMBL6562167 0.66 NT5E (0.58) NSD2KMT2AGAATDP1CTDSP1
SCHEMBL8562864 0.65 PRMT1 (0.45) NSD2CTDSP1CYP1A2CYP2C19PRMT1
SCHEMBL9622349 0.65 TSHR (0.41) MAPK1MAPTAKR1C3TP53CA1

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
US-5834601-A DYEING CELLULOSE, WOOL, POLYAMIDE DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 1998-11-10 US disclosed