SCHEMBL186014

SCHEMBL186014

O=C(O)Oc1cnc(C(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.34
ASPH Q12797 1/20 0.33
MRGPRX4 Q96LA9 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
HPGD P15428 2/20 0.31
GLA P06280 1/20 0.31
AGBL2 Q5U5Z8 1/20 0.31
P2RX7 Q99572 2/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
LIPE Q05469 1/20 0.30

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
SCHEMBL28941091 0.82 KIF11 (0.47) KMT2AMAPK1KDM4EUSP2
SCHEMBL16712250 0.80 SMN1; SMN2 (0.34) L3MBTL1HPGDGLAALDH1A1KDM4E
SCHEMBL25591675 0.74 ALDH1A1 (0.33) KMT2AALDH1A1
SCHEMBL10655208 0.74 ALOX15 (0.37) P2RX7KMT2AALDH1A1
SCHEMBL185449 0.74 ALDH1A1 (0.33) HPGDGLAALDH1A1KDM4EHSD17B10
SCHEMBL7020112 0.74 ALDH1A1 (0.33) HPGDGLAALDH1A1KDM4EHSD17B10
SCHEMBL185620 0.72 LMNA (0.35) HPGDGLAKMT2AALDH1A1KDM4E
SCHEMBL186013 0.72 L3MBTL1 (0.49) L3MBTL1ASPHHPGDALDH1A1KDM4E
SCHEMBL186176 0.72 HDAC1 (0.42) HPGDGLAKMT2AALDH1A1KDM4E
SCHEMBL2291068 0.72 CA1 (0.35) ASPH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2401256-B1 Compounds as bradykinin B1 antagonists BOEHRINGER INGELHEIM INT (DE) 2013-04-17 EP disclosed
EP-2401256-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-01-04 EP disclosed
WO-2010097372-A1 COMPOUNDS AS BRADYKININ B1 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-02 WO disclosed