SCHEMBL4591235

SCHEMBL4591235

O=C(O)c1n[nH]c(C(F)(F)F)c1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GYS1 P13807 4/20 0.51
HAO2 Q9NYQ3 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 1/20 0.44
ALPL P05186 1/20 0.44
RPA1 P27694 1/20 0.44
ALOX15 P16050 2/20 0.42
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
CNR1 P21554 1/20 0.40
NR2F2 P24468 1/20 0.40
CNR2 P34972 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
BCL2L1 Q07817 1/20 0.40
BAD Q92934 1/20 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
SCHEMBL30078174 0.74 HAO2 (0.55) HAO2CA12ALPLRPA1BCL2L1
SCHEMBL7646423 0.74 HAO2 (0.49) HAO2CA12ALPLRPA1MEN1
SCHEMBL5255490 0.74 MAPK14 (0.61) HAO2
Water SCHEMBL5256024 0.72 MAPK14 (0.59) HAO2
SCHEMBL23147812 0.72 HAO2 (0.64) HAO2CA12ALPLRPA1
SCHEMBL4185273 0.71 ALOX15 (0.44) L3MBTL1ALOX15KMT2A
SCHEMBL5452750 0.70 LRRK2 (0.58) GYS1
SCHEMBL4964605 0.69 HAO2 (0.53) HAO2CA12ALPLRPA1MAPT
SCHEMBL570053 0.68 HCAR2 (0.50) KMT2A
SCHEMBL27764731 0.68 HCAR2 (0.53) ALOX15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910380-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1910385-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1910362-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
EP-1910384-A1 IMIDAZO [2,1-B]THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP disclosed
WO-2007019346-A1 BENZOTHIAZOLES AND THIAZOLOPYRIDINES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019344-A1 IMIDAZO [2,1-B] THIAYOLE DERIVATIVES AS SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019417-A1 OXAZOLOPYRIDINE DERIVATIVES AS SIRTUIN MODULATORS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO disclosed