SCHEMBL7760146

SCHEMBL7760146

BrCc1nc(-c2ccccc2)c2ccccc2n1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.55
NUDT1 P36639 3/20 0.55
MAPT P10636 3/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
GAA P10253 2/20 0.50
ALDH1A1 P00352 6/20 0.49
KDM4E B2RXH2 4/20 0.49
HPGD P15428 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GLA P06280 1/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
RAD52 P43351 1/20 0.46
ERBB2 P04626 1/20 0.42

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
SCHEMBL6329097 0.81 NUDT1 (0.55) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL18285289 0.81 ADORA2A (0.59) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL638259 0.81 ADORA2A (0.55) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL20035085 0.79 ADORA2A (0.51) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL8070078 0.78 MEN1 (0.65) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL30725589 0.77 ADORA2A (0.50) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL26314584 0.77 ADORA2A (0.50) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL13584749 0.77 ADORA2A (0.50) ADORA2ANUDT1MAPTMEN1KMT2A
SCHEMBL17194216 0.76 GPR3 (0.53) NUDT1MAPTMEN1KMT2AGAA
SCHEMBL26214818 0.75 NUDT1 (0.47) ADORA2ANUDT1MAPTMEN1KMT2A

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-1087790-A2 USE OF A COMPOUND HAVING AFFINITY FOR THE BENZODIAZEPINE MITOCHONDRIAL RECEPTOR IN CANCER THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2001-04-04 EP disclosed
WO-1999066958-A2 USE OF A COMPOUND HAVING AFFINITY FOR THE BENZODIAZEPINE MITOCHONDRIAL RECEPTOR IN CANCER THERAPY CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1999-12-29 WO disclosed
EP-0210084-B1 AMIDES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM RHONE-POULENC SANTE (FR) 1989-02-08 EP disclosed
EP-0210084-A1 Amides, processes for their preparation and medicaments containing them RHONE-POULENC SANTE (FR) 1987-01-28 EP disclosed