SCHEMBL530567

SCHEMBL530567

O=C(c1ccccc1)N(c1ccccc1)C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.49
CES1 P23141 2/20 0.47
TDP1 Q9NUW8 2/20 0.46
RAB9A P51151 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NR1H3 Q13133 2/20 0.45
NR1H2 P55055 1/20 0.45
ADRA2C P18825 1/20 0.42
RORC P51449 1/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 3/20 0.39
DAO P14920 1/20 0.39
TSHR P16473 1/20 0.39
NAPRT Q6XQN6 1/20 0.39
CES2 O00748 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL24193623 0.96 NR1H3 (0.49) MLYCDCES1TDP1RAB9AL3MBTL1
SCHEMBL2638778 0.88 NR1H3 (0.50) MLYCDCES1TDP1RAB9AL3MBTL1
SCHEMBL11409191 0.88 MLYCD (0.43) MLYCDCES1TDP1RAB9AL3MBTL1
SCHEMBL27874740 0.84 HTT (0.50) MLYCDTDP1L3MBTL1KDM4EKMT2A
SCHEMBL6266207 0.84 HTT (0.57) MLYCDTDP1RAB9AKMT2AALDH1A1
SCHEMBL24193629 0.82 PTGS2 (0.49) MLYCDNR1H3NR1H2KMT2A
SCHEMBL1008397 0.81 NPSR1 (0.44) MLYCDCES1TDP1RAB9AL3MBTL1
SCHEMBL11107904 0.79 ALDH1A1 (0.50) L3MBTL1SMN1; SMN2KDM4EKMT2APOLB
SCHEMBL3938034 0.79 NPSR1 (0.43) MLYCDCES1TDP1RAB9AL3MBTL1
SCHEMBL5143986 0.78 ALDH1A1 (0.41) MLYCDCES1RAB9AL3MBTL1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012014127-A1 5-LIPOXYGENASE INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2012-02-02 WO claimed
EP-1928843-A1 BIS-ARYL UREA COMPOUNDS FOR THE TREATMENT OF PROTEIN KINASE-MEDIATED DISEAES Amgen, Inc (US) 2008-06-11 EP claimed
WO-2007024754-A1 BIS-ARYL UREA COMPOUNDS FOR THE TREATMENT OF PROTEIN KINASE-MEDIATED DISEAES AMGEN INC. (US) 2007-03-01 WO claimed
EP-2654428-B1 HISTONE ACETYLTRANSFERASE MODULATORS AND USESE THEREOF UNIV COLUMBIA (US) 2018-02-14 EP disclosed
EP-3186247-A1 PROTEIN KINASE INHIBITORS Astar Biotech LLC (US) 2017-07-05 EP disclosed
WO-2016029776-A1 PROTEIN KINASE INHIBITORS ASTAR BIOTECH LLC (US) 2016-03-03 WO disclosed
EP-1681924-A1 BIPHENYL DERIVATIVE OR ITS SALT, AND PESTICIDE CONTAINING IT AS AN ACTIVE INGREDIENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2006-07-26 EP disclosed
WO-2005063759-A1 PROCESS FOR PREPARING PYRROLO[2, 1-c] [1, 4] BENZODIAZEPINE HYBRIDS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-07-14 WO disclosed
EP-1532138-A1 INHIBITORS OF TYROSINE KINASES Novartis AG (CH) 2005-05-25 EP disclosed
WO-2005044007-A1 BIPHENYL DERIVATIVE OR ITS SALT, AND PESTICIDE CONTAINING IT AS AN ACTIVE INGREDIENT ISHIHARA SANGYO KAISHA, LTD. (JP) 2005-05-19 WO disclosed
WO-2004005281-A1 INHIBITORS OF TYROSINE KINASES NOVARTIS AG (CH) 2004-01-15 WO disclosed