SCHEMBL5335693

SCHEMBL5335693

CCOC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.COC(=O)c1ccc(C(F)(F)F)nc1-c1ccc(F)cc1.O=C(O)c1ccc(C(F)(F)F)nc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.47
NPSR1 Q6W5P4 3/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
MDM2 Q00987 1/20 0.46
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
ATM Q13315 1/20 0.46
TP53 P04637 1/20 0.43
NPC1 O15118 1/20 0.43
CASP3 P42574 1/20 0.43
RAB9A P51151 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
KDM4E B2RXH2 6/20 0.42

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
SCHEMBL5265309 0.88 ALDH1A1 (0.51) L3MBTL1NPSR1MEN1KMT2AGPR55
SCHEMBL4192118 0.87 ALDH1A1 (0.57) L3MBTL1NPSR1MEN1KMT2AGPR55
SCHEMBL5262192 0.87 TUBB4A (0.46) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL5263050 0.87 ALDH1A1 (0.43) L3MBTL1NPSR1MEN1KMT2AGPR55
SCHEMBL5264429 0.85 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL13853225 0.84 TUBB4A (0.49) ALDH1A1SMN1; SMN2LMNAMAPTNPC1
SCHEMBL5261790 0.82 MDM2 (0.41) L3MBTL1NPSR1GPR55MDM2ALDH1A1
SCHEMBL5260549 0.82 ALDH1A1 (0.47) L3MBTL1NPSR1MEN1KMT2AGPR55
SCHEMBL13853224 0.80 CSNK1D (0.41) RAB9AKDM4EDHODHPTGS2
SCHEMBL28509330 0.78 MDM2 (0.60) L3MBTL1NPSR1MEN1KMT2AGPR55

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-1824828-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS Peakdale Molecular Limited (GB) 2007-08-29 EP claimed
WO-2006059103-A2 PYRIDINE BASED COMPOUNDS USEFUL AS INTERMEDIATES FOR PHARMACEUTICAL OR AGRICULTURAL END-PRODUCTS PEAKDALE MOLECULAR LIMITED (GB) 2006-06-08 WO claimed