SCHEMBL2363098

SCHEMBL2363098

CCn1nc(C(F)(F)F)c(C(F)(F)F)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.42
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
MAPT P10636 2/20 0.33
POLQ O75417 1/20 0.32
CCR1 P32246 1/20 0.32
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
POLB P06746 2/20 0.31
CYP3A4 P08684 1/20 0.31
NLRP3 Q96P20 1/20 0.31

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
SCHEMBL2362984 0.89 NPC1 (0.39) NPC1LMNATSHRNPSR1KDM4E
SCHEMBL2363178 0.77 PKM (0.40) NPC1LMNANPSR1KDM4ETDP1
SCHEMBL29658144 0.74 MEN1 (0.35) LMNAKDM4ERECQLGAA
SCHEMBL16418269 0.74 LMNA (0.33) NPC1LMNATSHRNPSR1KDM4E
SCHEMBL8323455 0.73 KDM4E (0.40) NPC1LMNATSHRNPSR1KDM4E
SCHEMBL20551143 0.73 KDM4E (0.38) NPC1LMNATSHRNPSR1KDM4E
SCHEMBL13365059 0.72 LMNA (0.31) LMNATSHRNPSR1
SCHEMBL21596454 0.71 NPC1 (0.36) NPC1
SCHEMBL9218403 0.70 LMNA (0.34) NPC1LMNATSHRNPSR1KDM4E
SCHEMBL28511363 0.69 NPC1 (0.46) NPC1LMNATSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2352723-B1 PESTICIDAL N-ARYL- OR N-HETEROARYL PYRAZOLE CARBOXAMIDE COMPOUNDS BAYER IP GMBH (DE) 2016-11-23 EP disclosed
EP-2686303-B1 N-(3-CARBAMOYLPHENYL)-1H-PYRAZOLE-5-CARBOXAMIDE DERIVATIVES AND THEIR USE FOR COMBATING ANIMAL PESTS BAYER IP GMBH (DE) 2016-01-20 EP disclosed
EP-2686303-A1 N-(3-CARBAMOYLPHENYL)-1H-PYRAZOLE-5-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF FOR CONTROLLING ANIMAL PESTS Bayer Intellectual Property GmbH (DE) 2014-01-22 EP disclosed
WO-2012126766-A1 N-(3-CARBAMOYLPHENYL)-1H-PYRAZOLE-5-CARBOXAMIDE DERIVATIVES AND THE USE THEREOF FOR CONTROLLING ANIMAL PESTS BAYER CROPSCIENCE AG (DE) 2012-09-27 WO disclosed
EP-2352723-A2 HALOGEN-SUBSTITUTED COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-08-10 EP disclosed
WO-2010133312-A1 HALOGEN-SUBSTITUTED COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-11-25 WO disclosed
WO-2010051926-A2 NEW HALOGEN-SUBSTITUTED BONDS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-05-14 WO disclosed