SCHEMBL7768609

SCHEMBL7768609

O=S(=O)(Nc1ccccn1)c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.67
TSHR P16473 2/20 0.67
NSD2 O96028 1/20 0.67
HSD17B10 Q99714 1/20 0.67
ALDH1A1 P00352 6/20 0.65
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
RXFP1 Q9HBX9 2/20 0.65
HPGD P15428 1/20 0.58
LMNA P02545 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
PKM P14618 2/20 0.54
CASP1 P29466 2/20 0.54
TP53 P04637 1/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
EDNRA P25101 3/20 0.53
EDNRB P24530 2/20 0.53
HCRTR1 O43613 1/20 0.52
MAPT P10636 1/20 0.51

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
SCHEMBL8890499 0.80 KDM4E (0.62) KDM4ETSHRNSD2HSD17B10ALDH1A1
SCHEMBL7772536 0.80 EDNRA (0.67) KDM4ETSHRNSD2HSD17B10ALDH1A1
SCHEMBL7770323 0.80 EDNRA (0.69) KDM4ETSHRNSD2HSD17B10ALDH1A1
SCHEMBL7764513 0.80 EDNRA (0.67) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL7768388 0.80 EDNRA (0.67) KDM4ETSHRNSD2HSD17B10ALDH1A1
SCHEMBL6981201 0.78 SLC40A1 (0.73) MEN1KMT2ATDP1
SCHEMBL16110825 0.78 ALDH1A1 (0.68) KDM4ETSHRNSD2HSD17B10ALDH1A1
SCHEMBL2762847 0.78 SMN1; SMN2 (0.62) KDM4ETSHRNSD2HSD17B10ALDH1A1
SCHEMBL8395841 0.77 EDNRA (0.55) KDM4ETSHRNSD2HSD17B10ALDH1A1
SCHEMBL8392571 0.77 EDNRA (0.67) TSHREDNRAEDNRBHCRTR1PGR

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
EP-0682016-B1 Pyridine derivatives ASTRAZENECA AB (SE) 2001-07-11 EP disclosed