SCHEMBL7768388

SCHEMBL7768388

O=S(=O)(Nc1ccc(Br)cn1)c1cccc2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.67
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
ALDH1A1 P00352 1/20 0.52
EDNRB P24530 2/20 0.50
HCRTR1 O43613 1/20 0.48
RAB9A P51151 1/20 0.46
TSHR P16473 2/20 0.46
PGR P06401 1/20 0.46
KDM4E B2RXH2 1/20 0.45
NSD2 O96028 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL7764513 0.83 EDNRA (0.67) EDNRAMEN1KMT2ALMNAALDH1A1
SCHEMBL7772536 0.83 EDNRA (0.67) EDNRAMEN1KMT2AALDH1A1EDNRB
SCHEMBL8392571 0.83 EDNRA (0.67) EDNRAEDNRBHCRTR1TSHRPGR
SCHEMBL7770323 0.83 EDNRA (0.69) EDNRAKMT2AMAPTALDH1A1EDNRB
SCHEMBL8390507 0.83 EDNRA (0.66) EDNRAALDH1A1EDNRBHCRTR1TSHR
SCHEMBL8890035 0.81 EDNRA (1.00) EDNRATSHRKDM4ENSD2HSD17B10
SCHEMBL7770284 0.80 RORA (0.54) EDNRALMNAEDNRBHCRTR1RAB9A
SCHEMBL22088467 0.80 EDNRA (0.56) EDNRAMEN1KMT2ALMNAALDH1A1
SCHEMBL7768609 0.80 KDM4E (0.67) EDNRAMEN1KMT2ALMNAMAPT
SCHEMBL7770318 0.79 TNNI3 (0.55) EDNRAMEN1KMT2ALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0682016-B1 Pyridine derivatives ASTRAZENECA AB (SE) 2001-07-11 EP claimed
EP-0682016-A1 Pyridine derivatives ZENECA LIMITED (GB) 1995-11-15 EP claimed
EP-0682016-B1 Pyridine derivatives ASTRAZENECA AB (SE) 2001-07-11 EP disclosed
EP-0682016-A1 Pyridine derivatives ZENECA LIMITED (GB) 1995-11-15 EP disclosed