SCHEMBL5065507

SCHEMBL5065507

Nc1ccc(-c2ccc(N)cc2N)c(N)c1.[Ni]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP1 P29466 4/20 0.50
TSHR P16473 4/20 0.44
POLB P06746 3/20 0.44
GAA P10253 2/20 0.44
GLA P06280 1/20 0.44
ALDH1A1 P00352 8/20 0.42
CYP3A4 P08684 6/20 0.42
TDP1 Q9NUW8 5/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.41
LMNA P02545 4/20 0.41
PTPRC P08575 2/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 2/20 0.41

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
SCHEMBL21372 0.97 CASP1 (0.52) CASP1TSHRPOLBGAAGLA
SCHEMBL5983366 0.97 CASP1 (0.52) CASP1TSHRPOLBGAAGLA
Hydrochloric Acid SCHEMBL592948 0.94 CASP1 (0.50) CASP1TSHRPOLBGAAGLA
SCHEMBL9451786 0.94 CASP1 (0.50) CASP1TSHRPOLBGAAGLA
Hydrochloric Acid SCHEMBL992773 0.94 CASP1 (0.50) CASP1TSHRPOLBGAAGLA
SCHEMBL4339277 0.94 CASP1 (0.50) CASP1TSHRPOLBGAAGLA
Hydrochloric Acid SCHEMBL999546 0.94 CASP1 (0.50) CASP1TSHRPOLBGAAGLA
Water SCHEMBL7066179 0.94 CASP1 (0.50) CASP1TSHRPOLBGAAGLA
Hydrochloric Acid SCHEMBL134928 0.94 CASP1 (0.50) CASP1TSHRPOLBGAAGLA
Hydrochloric Acid SCHEMBL3504242 0.91 CASP1 (0.48) CASP1TSHRPOLBGAAGLA

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
US-20080187917-A1 Compositions and methods for repressing the Ink4a and Arf senescence pathways THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-08-07 US disclosed
WO-2007100576-A2 COMPOSITIONS AND METHODS FOR REPRESSING THE INK4A AND ARF SENESCENCE PATHWAYS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-09-07 WO disclosed
WO-2005032580-A1 METHODS AND COMPOSITIONS FOR TREATING EOSINOPHIL MEDIATED GASTRO-INTESTINAL DYSFUNCTION OR DISEASE THE AUSTRALIAN NATIONAL UNIVERSITY (AU) 2005-04-14 WO disclosed
US-20050032129-A1 Detection of antigen by immunohistochemical staining KAGOSHIMA UNIVERSITY (JP) 2005-02-10 US disclosed