SCHEMBL476475

SCHEMBL476475

CCNC(=O)Oc1ncccc1F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
MAPK8 P45983 1/20 0.41
SSTR4 P31391 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ATM Q13315 1/20 0.40
FAAH O00519 3/20 0.40
CARM1 Q86X55 1/20 0.39
NPC1 O15118 1/20 0.39
TSHR P16473 1/20 0.39
P2RY1 P47900 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL30438223 0.80 L3MBTL1 (0.47) LMNAL3MBTL1KMT2APOLBMAPT
SCHEMBL4537895 0.79 L3MBTL1 (0.46) LMNAL3MBTL1KMT2AMAPTMAPK8
SCHEMBL1291161 0.77 L3MBTL1 (0.43) LMNAL3MBTL1KMT2AKDM4EMAPT
SCHEMBL27581563 0.77 L3MBTL1 (0.45) LMNAL3MBTL1KMT2APOLBMAPK8
SCHEMBL27870422 0.77 L3MBTL1 (0.48) LMNAL3MBTL1KMT2AKDM4EPOLB
SCHEMBL7603398 0.75 KMT2A (0.45) LMNAL3MBTL1KMT2AKDM4EMEN1
SCHEMBL4537897 0.75 L3MBTL1 (0.43) LMNAL3MBTL1KMT2AMAPTMAPK8
SCHEMBL27938524 0.74 FAAH (0.59) L3MBTL1KMT2AKDM4EMEN1POLB
SCHEMBL15880497 0.74 HTT (0.42) LMNAL3MBTL1KMT2AMEN1MAPT
SCHEMBL28522946 0.73 KDM4E (0.46) LMNAL3MBTL1KMT2AKDM4EMEN1

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-2410858-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN Merck Sharp & Dohme Corp. (US) 2012-02-01 EP disclosed
WO-2010111059-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME CORP. (US) 2010-09-30 WO disclosed