SCHEMBL4583705

SCHEMBL4583705

O=C(NCCc1ncc(Br)cc1Cl)c1ccnc(F)c1CI

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 4/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.34
HPGD P15428 2/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
P2RX7 Q99572 4/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
CTDSP1 Q9GZU7 1/20 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
SCHEMBL317640 0.81 KMT2A (0.38) CYP1A2KMT2APOLBMEN1NPC1
SCHEMBL2428916 0.77 CNR2 (0.39) KMT2AMEN1CTDSP1
SCHEMBL319697 0.76 KMT2A (0.41) CYP1A2KMT2APOLBMEN1HPGD
SCHEMBL16541062 0.74 LMNA (0.45) CYP1A2KMT2APOLBMEN1HPGD
SCHEMBL17917764 0.73 RAB9A (0.50) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL4614052 0.72 KMT2A (0.39) CYP1A2KMT2APOLBMEN1HPGD
SCHEMBL16540928 0.72 GLA (0.40) CYP1A2KMT2APOLBMEN1HPGD
SCHEMBL6684535 0.71 GLA (0.37) KMT2APOLBMEN1NPC1RAB9A
SCHEMBL7081843 0.67 TAAR1 (0.41) CYP1A2KMT2APOLBMEN1HPGD
SCHEMBL6645382 0.67 KMT2A (0.38) KMT2APOLBNPC1RAB9ASMN1; 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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601279-A1 TRICYCLIC CARBOXAMIDES FOR CONTROLLING ARTHROPODS Bayer CropScience Aktiengesellschaft (DE) 2020-02-05 EP disclosed
EP-3484877-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2019-05-22 EP disclosed
WO-2018177993-A1 PYRAZOLES FOR CONTROLLING ARTHROPODS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 WO disclosed
WO-2018177995-A1 TRICYCLIC CARBOXAMIDES FOR CONTROLLING ARTHROPODS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-10-04 WO disclosed
EP-3334711-A1 DERIVATIVES OF PYRROLE, DIAZOLE, TRIAZOLE OR TETRAZOLE, SUITABLE FOR CONTROLLING ARTHROPODS Bayer CropScience Aktiengesellschaft (DE) 2018-06-20 EP disclosed
EP-3319943-A1 NITROGENOUS HETEROCYCLES AS A PESTICIDE Bayer CropScience Aktiengesellschaft (DE) 2018-05-16 EP disclosed
WO-2018011111-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2018-01-18 WO disclosed
EP-3227274-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience Aktiengesellschaft (DE) 2017-10-11 EP disclosed
EP-3227303-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
EP-3227301-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS Bayer CropScience AG (DE) 2017-10-11 EP disclosed
WO-2016087363-A1 BICYCLIC COMPOUNDS AS PEST CONTROL AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2016-06-09 WO disclosed
WO-2015150300-A1 N-(1-(HETERO)ARYL-1H-PYRAZOL-4-YL)-(HETERO)ARYLAMIDE DERIVATIVES AND USE THEREOF AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-10-08 WO disclosed
WO-2015101622-A1 NOVEL PYRAZOLYL-HETEROARYLAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2015-07-09 WO disclosed
EP-1972623-A1 Arylpyridazines as fungicides Bayer CropScience AG (DE) 2008-09-24 EP disclosed
EP-1966148-A1 CARBOXAMIDES Bayer CropScience AG (DE) 2008-09-10 EP disclosed
EP-1928243-A2 THIAZOLES USED AS FUNGICIDES Bayer CropScience AG (DE) 2008-06-11 EP disclosed
WO-2007068373-A1 CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2007-06-21 WO disclosed
EP-1791834-A1 5-HETEROCYCLYL PYRIMIDINES Bayer CropScience Aktiengesellschaft (DE) 2007-06-06 EP disclosed
WO-2007033780-A2 THIAZOLES USED AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2007-03-29 WO disclosed
WO-2006029867-A1 5-HETEROCYCLYL PYRIMIDINES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2006-03-23 WO disclosed