SCHEMBL8401571

SCHEMBL8401571

N=C(N)N(c1cccc2cc3ccccc3cc12)c1cccc2cc3ccccc3cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.48
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PTPN1 P18031 4/20 0.41
F2 P00734 2/20 0.39
PLG P00747 2/20 0.39
PLAU P00749 2/20 0.39
KLK1 P06870 2/20 0.39
PRSS1 P07477 2/20 0.39
KLKB1 P03952 1/20 0.39
MCL1 Q07820 1/20 0.39
HIF1A Q16665 1/20 0.38
CYP1B1 Q16678 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PLAT P00750 1/20 0.35

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
SCHEMBL17710566 0.85 SIGMAR1 (0.47) SIGMAR1ALDH1A1KDM4EGAAMEN1
SCHEMBL2431069 0.85 SIGMAR1 (0.55) SIGMAR1ALDH1A1KDM4EGAAPTPN1
SCHEMBL8742588 0.83 SIGMAR1 (0.59) SIGMAR1ALDH1A1KDM4EGAAMEN1
SCHEMBL16628639 0.78 ALDH1A1 (0.47) SIGMAR1ALDH1A1KDM4EGAAMEN1
SCHEMBL16628505 0.78 ALDH1A1 (0.47) SIGMAR1ALDH1A1KDM4EGAAMEN1
SCHEMBL16628631 0.77 ALDH1A1 (0.50) SIGMAR1ALDH1A1KDM4EGAAMEN1
SCHEMBL16628641 0.77 ALDH1A1 (0.50) SIGMAR1ALDH1A1KDM4EGAAMEN1
SCHEMBL4981507 0.75 SIGMAR1 (0.73) SIGMAR1ALDH1A1KDM4EGAAMEN1
SCHEMBL1477760 0.74 ALDH1A1 (0.44) SIGMAR1ALDH1A1KDM4EGAAMEN1
SCHEMBL16628502 0.74 ALDH1A1 (0.42) SIGMAR1ALDH1A1KDM4EGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918460-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-06-02 EP disclosed
WO-1998004131-A1 METHODS OF TREATMENT OF EYE TRAUMA AND DISORDERS CAMBRIDGE NEUROSCIENCE, INC. (US) 1998-02-05 WO disclosed