SCHEMBL4234189

SCHEMBL4234189

COC(C)(OCc1ccccc1)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
PARP10 Q53GL7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RXRA P19793 1/20 0.39
IDO1 P14902 1/20 0.38

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
SCHEMBL15048635 0.78 CES1 (0.50) ALDH1A1KMT2AMAPTPARP10NPC1
SCHEMBL27540267 0.78 ALDH1A1 (0.42) ALDH1A1KMT2AMAPTPARP10NPC1
SCHEMBL27529609 0.77 ALDH1A1 (0.44) ALDH1A1KMT2AMAPTPARP10NPC1
SCHEMBL7609100 0.73 MEN1 (0.47) ALDH1A1KMT2ANPC1RAB9A
SCHEMBL10866803 0.73 PPARG (0.51) ALDH1A1KMT2AMAPTSMN1; SMN2
SCHEMBL7609105 0.73 MEN1 (0.47) ALDH1A1KMT2ANPC1RAB9A
SCHEMBL11475913 0.73 ALDH1A1 (0.52) ALDH1A1KMT2ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL883026 0.73 SLC16A3 (0.55) ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2
SCHEMBL8717382 0.72 KMT2A (0.44) ALDH1A1KMT2AMAPTPARP10NPC1
SCHEMBL10349973 0.72 MEN1 (0.49) ALDH1A1KMT2ASMN1; SMN2NPC1RAB9A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009117278-A2 PROCESSES FOR PREPARING (AMINO-PYRAZOLOPYRIDINYL)METHOXY SUBSTITUTED BIARYL ETHERS MERCK & CO., INC. (US) 2009-09-24 WO disclosed