SCHEMBL2326796

SCHEMBL2326796

N=C(NO)c1ccc(OC(F)(F)F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.49
PDE2A O00408 3/20 0.42
ABL1 P00519 1/20 0.37
TRPM8 Q7Z2W7 3/20 0.37
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RAB9A P51151 1/20 0.36
FAAH O00519 1/20 0.33
SLC7A5 Q01650 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL2327744 0.83 SCN9A (0.39) EPHX2
SCHEMBL2326653 0.80 HTT (0.57) LMNAMAPK1HTTRAB9A
SCHEMBL23577458 0.76 KIF11 (0.46) HDAC1HDAC6
SCHEMBL16956648 0.76 EPHX2 (0.50) EPHX2PDE2AABL1TRPM8LMNA
SCHEMBL640675 0.75 CES2 (0.50) RAB9AHDAC1HDAC6
SCHEMBL30506215 0.75 CES2 (0.50) RAB9AHDAC1HDAC6
SCHEMBL30147507 0.75 RAB9A (0.64) EPHX2PDE2AABL1TRPM8LMNA
SCHEMBL12490198 0.75 RAB9A (0.64) EPHX2PDE2AABL1TRPM8LMNA
SCHEMBL2323023 0.74 EPHX2 (0.46) EPHX2RAB9AFAAHHDAC1HDAC6
SCHEMBL3274515 0.74 MRGPRX1 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2356113-B1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER IP GMBH (DE) 2015-01-07 EP disclosed
EP-2569309-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES Bayer Intellectual Property GmbH (DE) 2013-03-20 EP disclosed
WO-2011141325-A1 HYDROXYALKYL BENZYL PYRAZOLES, AND USE THEREOF FOR THE TREATMENT OF HYPERPROLIFERATIVE AND ANGIOGENIC DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2011-11-17 WO disclosed
EP-2356113-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2011-08-17 EP disclosed
WO-2010054763-A1 HETEROCYCLICALLY SUBSTITUTED ARYL COMPOUNDS AS HIF INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-05-20 WO disclosed