SCHEMBL8763532

SCHEMBL8763532

O=[N+]([O-])c1cc(Cl)c(N=C2NCCN2)c(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
ADRA2A P08913 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
HSD17B10 Q99714 1/20 0.42
GPR35 Q9HC97 1/20 0.41
KMT2A Q03164 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
HSP90AA1 P07900 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 2/20 0.35
CYP19A1 P11511 1/20 0.35
VCAM1 P19320 2/20 0.34
PDE7A Q13946 2/20 0.34

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
SCHEMBL8762465 0.94 ALDH1A1 (0.46) ALDH1A1ADRA2AADRA2BADRA2CHSD17B10
SCHEMBL8763587 0.94 ALDH1A1 (0.46) ALDH1A1ADRA2AADRA2BADRA2CHSD17B10
SCHEMBL10977557 0.80 HTR1D (0.44) ALDH1A1ADRA2AADRA2BADRA2CHSD17B10
SCHEMBL10979564 0.80 ALDH1A1 (0.42) ALDH1A1ADRA2AADRA2BADRA2CKMT2A
SCHEMBL9616494 0.78 HTT (0.49) ALDH1A1ADRA2AADRA2BADRA2CKMT2A
SCHEMBL10994971 0.77 GPR35 (0.40) ALDH1A1GPR35KMT2ATDP1MEN1
SCHEMBL11175973 0.76 HSD17B10 (0.50) ALDH1A1ADRA2AHSD17B10KMT2ATDP1
SCHEMBL11365446 0.76 MEN1 (0.35) ALDH1A1HSD17B10KMT2AMEN1MAPT
SCHEMBL8764346 0.75 ALDH1A1 (0.43) ALDH1A1ADRA2AADRA2BADRA2CHSD17B10
SCHEMBL10816920 0.73 TDP1 (0.50) ALDH1A1HSD17B10TDP1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5684156-A Process for preparation of clonidine derivatives ALCON RESEARCH, LTD. 1997-11-04 US claimed
EP-0693055-B1 NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES ALCON LAB INC (US) 1997-05-21 EP claimed
EP-0693055-A1 NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES ALCON LAB INC (US) 1996-01-24 EP claimed
WO-1995021818-A1 NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES ALCON LABORATORIES, INC. (US) 1995-08-17 WO claimed
US-5684156-A Process for preparation of clonidine derivatives ALCON RESEARCH, LTD. 1997-11-04 US disclosed
EP-0693055-B1 NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES ALCON LAB INC (US) 1997-05-21 EP disclosed
EP-0693055-A1 NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES ALCON LAB INC (US) 1996-01-24 EP disclosed
WO-1995021818-A1 NOVEL PROCESS FOR PREPARATION OF CLONIDINE DERIVATIVES ALCON LABORATORIES, INC. (US) 1995-08-17 WO disclosed