SCHEMBL6606037

SCHEMBL6606037

CCOC(=O)c1c(C(=O)Oc2c(C(C)=O)c(C(=O)O)nc3ccccc23)nc2ccccc2c1O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 2/20 0.47
LMNA P02545 2/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.41
NMT2 O60551 2/20 0.40
NMT1 P30419 2/20 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
SCHEMBL6601172 0.81 CYP2D6 (0.42) KMT2ASMN1; SMN2MEN1ALDH1A1MAPT
SCHEMBL28797295 0.78 KDM4E (0.53) KMT2ASMN1; SMN2MEN1LMNAKDM4E
SCHEMBL14238204 0.75 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2MEN1LMNAKDM4E
SCHEMBL27659536 0.75 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2MEN1LMNAKDM4E
SCHEMBL29860485 0.75 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2MEN1LMNAKDM4E
SCHEMBL538291 0.75 SMN1; SMN2 (0.69) KMT2ASMN1; SMN2MEN1LMNAKDM4E
SCHEMBL27327783 0.73 KDM4E (0.57) KMT2ASMN1; SMN2MEN1LMNAKDM4E
SCHEMBL28126276 0.73 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2MEN1LMNAKDM4E
SCHEMBL11075264 0.73 KDM4E (0.61) KMT2ASMN1; SMN2MEN1LMNAKDM4E
SCHEMBL27276256 0.73 SMN1; SMN2 (0.55) KMT2ASMN1; SMN2MEN1LMNAKDM4E

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 2 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 disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 WO disclosed