SCHEMBL7898992

SCHEMBL7898992

c1ccc(CNN=NCCN=NNCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
MAOA P21397 1/20 0.45
IDO1 P14902 2/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 3/20 0.43
CHRM2 P08172 1/20 0.43
GAA P10253 1/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
SIGMAR1 Q99720 2/20 0.41
HTT P42858 1/20 0.41
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH7 P40394 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL7911586 0.91 MAOA (0.47) MEN1KMT2ATDP1MAOAIDO1
SCHEMBL8513338 0.89 MEN1 (0.48) MEN1KMT2ATDP1MAOAIDO1
SCHEMBL3277762 0.77 MEN1 (0.50) MEN1KMT2ATDP1MAOAIDO1
SCHEMBL3277759 0.77 MEN1 (0.50) MEN1KMT2ATDP1MAOAIDO1
SCHEMBL10699425 0.76 TDP1 (0.48) MEN1KMT2ATDP1MAOAIDO1
SCHEMBL19069697 0.71 HTT (0.48) MEN1KMT2ATDP1MAOAIDO1
SCHEMBL2370062 0.71 ADH1B (0.54) MEN1KMT2ATDP1MAOAIDO1
SCHEMBL11884759 0.71 KMT2A (0.48) MEN1KMT2ATDP1MAOAIDO1
SCHEMBL21192748 0.71 IDO1 (0.48) MEN1KMT2ATDP1MAOAIDO1
SCHEMBL1793817 0.71 MAPT (0.52) MEN1KMT2ATDP1MAOAIDO1

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
JP-3193379-B2 2001-07-30 JP claimed
US-5808038-A ANTICARCER AGENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-09-15 US claimed
EP-0626943-A1 BISTRIAZENES AS CHEMOTHERAPEUTIC AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-12-07 EP claimed
WO-1993009089-A1 BISTRIAZENES AS CHEMOTHERAPEUTIC AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-05-13 WO claimed
EP-0626943-B1 BISTRIAZENES AS CHEMOTHERAPEUTIC AGENTS US HEALTH (US) 2000-01-26 EP disclosed
US-5808038-A ANTICARCER AGENT THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-09-15 US disclosed
EP-0626943-A1 BISTRIAZENES AS CHEMOTHERAPEUTIC AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-12-07 EP disclosed
WO-1993009089-A1 BISTRIAZENES AS CHEMOTHERAPEUTIC AGENTS THE GOVERNMENT OF THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1993-05-13 WO disclosed