SCHEMBL13736133

SCHEMBL13736133

Cc1nc(C(=O)O)cn1C[C@H](C)O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
BRD4 O60885 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
KDM4E B2RXH2 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
APAF1 O14727 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PDE10A Q9Y233 3/20 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
SCHEMBL13732305 1.00 PKM (0.36) PKMRXFP1BRD4MAPK1ATM
SCHEMBL13736015 1.00 PKM (0.36) PKMRXFP1BRD4MAPK1ATM
SCHEMBL13734073 0.85 TGFBR1 (0.36) PKMBRD4MAPK1ATMKDM4E
SCHEMBL13735175 0.83 RXFP1 (0.36) PKMRXFP1BRD4KDM4ELMNA
SCHEMBL4734703 0.73 BRD4 (0.38) RXFP1BRD4KDM4ESMN1; SMN2PTGS1
SCHEMBL4734075 0.72 BRD4 (0.57) PKMBRD4LMNA
SCHEMBL4733870 0.72 NOTUM (0.42) RXFP1BRD4LMNAL3MBTL1
SCHEMBL13733079 0.72 RXFP1 (0.39) RXFP1KDM4ESMN1; SMN2PTGS1PTGS2
SCHEMBL2360506 0.71 BRD4 (0.47) BRD4SMN1; SMN2
SCHEMBL13363565 0.70 BRD4 (0.46) BRD4ATMKDM4ELMNASMN1; 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-2699561-B1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORP (FI) 2015-06-03 EP disclosed
US-8921378-B2 Androgen receptor modulating carboxamides ORION CORPORATION (FI) 2014-12-30 US disclosed
EP-2699561-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES Orion Corporation (FI) 2014-02-26 EP disclosed
WO-2012143599-A1 ANDROGEN RECEPTOR MODULATING CARBOXAMIDES ORION CORPORATION (FI) 2012-10-26 WO disclosed