SCHEMBL8569208

SCHEMBL8569208

CCOP(=O)(OCC)c1ccnc(-c2cc(Br)ccn2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.35
CDK9 P50750 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
CCR1 P32246 1/20 0.32
CCR5 P51681 1/20 0.32
CCR8 P51685 1/20 0.32
RAD51 Q06609 1/20 0.32
JMJD6 Q6NYC1 1/20 0.32
HPGD P15428 1/20 0.31

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
SCHEMBL31722547 0.91 CCNT1 (0.39) CCNT1CDK9MEN1KMT2ANPSR1
SCHEMBL5738973 0.78 POLB (0.36) MEN1KMT2ANPSR1HTR2AHTR2B
SCHEMBL16561829 0.75 RECQL (0.37) CCNT1CDK9MEN1KMT2ANPSR1
SCHEMBL4423591 0.74 NPSR1 (0.47) CCNT1CDK9MEN1KMT2ANPSR1
SCHEMBL5095149 0.72 CCR1 (0.37) CCNT1CDK9MEN1KMT2ANPSR1
SCHEMBL833371 0.71 KDM4E (0.48) POLBSMN1; SMN2KDM4EALDH1A1PTGS1
SCHEMBL23037082 0.71 CCR1 (0.46) CCNT1CDK9MEN1KMT2ANPSR1
SCHEMBL2208990 0.70 KDM4E (0.43) MEN1KMT2ANPSR1POLBKDM4E
SCHEMBL3364776 0.70 GAA (0.47) MEN1KMT2ANPSR1HTR2AHTR2B
Hydrochloric Acid SCHEMBL5098652 0.70 CCR1 (0.45) CCNT1CDK9MEN1KMT2ANPSR1

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-0758337-B1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECH (CH) 1998-12-16 EP disclosed
US-5789592-A Phosphonated polypyridyl compounds and their complexes ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 1998-08-04 US disclosed
EP-0758337-A1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 1997-02-19 EP disclosed
WO-1995029924-A1 PHOSPHONATED POLYPYRIDYL COMPOUNDS AND THEIR COMPLEXES ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (EPFL) (CH) 1995-11-09 WO disclosed