SCHEMBL2857138

SCHEMBL2857138

O=C(O)NCc1ccc(F)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.52
RECQL P46063 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MITF O75030 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
HIF1A Q16665 1/20 0.47
HPGD P15428 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C19 P33261 2/20 0.47
VCAM1 P19320 1/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
CA1 P00915 1/20 0.43
MMP2 P08253 1/20 0.43

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
SCHEMBL2857133 1.00 LMNA (0.52) LMNARECQLMEN1KMT2AL3MBTL1
SCHEMBL16654193 0.85 LMNA (0.50) LMNARECQLMEN1KMT2AL3MBTL1
SCHEMBL1726825 0.82 KDM1A (0.53) LMNAMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL1727251 0.82 PTGES (0.47) LMNARECQLMEN1KMT2AL3MBTL1
Hydrochloric Acid SCHEMBL4140977 0.81 LMNA (0.46) LMNARECQLMEN1KMT2AL3MBTL1
SCHEMBL2656422 0.80 LMNA (0.53) LMNARECQLMEN1KMT2AALDH1A1
SCHEMBL2648717 0.80 LMNA (0.53) LMNARECQLMEN1KMT2AALDH1A1
SCHEMBL5563733 0.79 LMNA (0.43) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL5563706 0.79 CYP1A2 (0.46) LMNAMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL28515479 0.79 SMN1; SMN2 (0.47) LMNARECQLMEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2184285-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-11-04 EP disclosed
EP-2399921-B1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2015-08-12 EP disclosed
US-8697874-B2 Heterocyclic compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-15 US disclosed
EP-2399921-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-12-28 EP disclosed
WO-2010126922-A1 BENZIMIDAZOLECARBOXAMIDES AS INHIBITORS OF FAK GLAXOSMITHKLINE LLC (US) 2010-11-04 WO disclosed
EP-2184285-A1 HETEROCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-05-12 EP disclosed