SCHEMBL6608978

SCHEMBL6608978

O=C(COc1ccc2ccccc2n1)NCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
MEN1 O00255 1/20 0.65
HPGD P15428 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.49
HTT P42858 1/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
MAPK1 P28482 1/20 0.47
LSS P48449 1/20 0.47
TSHR P16473 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.47
CYSLTR1 Q9Y271 1/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL6603947 0.85 KDM4C (0.56) KMT2AL3MBTL1MEN1HPGDSMN1; SMN2
SCHEMBL4303922 0.81 NCEH1 (0.54) KMT2AL3MBTL1MEN1SMN1; SMN2RAB9A
SCHEMBL1495919 0.79 MEN1 (0.66) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
Benzene SCHEMBL6364361 0.79 MEN1 (0.66) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL6605120 0.77 ALDH1A1 (0.53) KMT2AL3MBTL1MEN1HPGDSMN1; SMN2
SCHEMBL4781790 0.76 LSS (0.74) KMT2AL3MBTL1MEN1HPGDRAB9A
SCHEMBL6603038 0.76 CYSLTR2 (0.54) KMT2AMEN1HPGDSMN1; SMN2RAB9A
SCHEMBL6608386 0.75 KDM4E (0.52) KMT2AMEN1SMN1; SMN2ALDH1A1HTT
SCHEMBL5272168 0.75 KMT2A (1.00) KMT2AL3MBTL1MEN1HPGDSMN1; SMN2
SCHEMBL17141929 0.74 KMT2A (0.59) KMT2AL3MBTL1MEN1HPGDSMN1; SMN2

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-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP claimed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO claimed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO disclosed