SCHEMBL11048362

SCHEMBL11048362

O=S(=O)(O)c1cc(O)c2ccc(NCc3cccnc3)cc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.52
MAPT P10636 4/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
PABPC1 P11940 1/20 0.49
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CASP6 P55212 3/20 0.46
NSD2 O96028 2/20 0.46
DUSP3 P51452 2/20 0.46
PTPN5 P54829 2/20 0.46
PTPN11 Q06124 2/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL28987914 0.86 PRMT1 (0.59) PRMT1ALDH1A1KDM4ENPC1CASP6
SCHEMBL28709255 0.81 PRMT1 (0.53) PRMT1CASP6NSD2DUSP3PTPN5
SCHEMBL28708886 0.79 PRMT1 (0.56) PRMT1ALDH1A1KDM4ENPC1HPGD
SCHEMBL28691759 0.79 PRMT1 (0.56) PRMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL9215027 0.77 NSD2 (0.68) PRMT1KDM4ENPC1CASP6NSD2
SCHEMBL28685686 0.76 CA1 (0.55) PRMT1MAPTMEN1KMT2AALDH1A1
SCHEMBL7625817 0.75 PRMT1 (0.65) PRMT1ALDH1A1HSD17B10CASP6NSD2
SCHEMBL1373255 0.75 PRMT1 (0.65) PRMT1ALDH1A1HSD17B10CASP6NSD2
SCHEMBL28933627 0.74 PRMT1 (0.54) PRMT1MAPTHPGDCASP6NSD2
SCHEMBL28701649 0.74 PRMT1 (0.57) PRMT1ALDH1A1RAB9ASMN1; SMN2CASP6

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-4473498-A Water-soluble, fiber-reactive organic dyestuffs containing a β-chloro-ethylsulfonyl-methyl-benzoic acid amide group HOECHST AKTIENGESELLSCHAFT (DE) 1984-09-25 US disclosed