SCHEMBL317640

SCHEMBL317640

O=C(NCCc1ncc(Br)cc1Cl)c1c(I)ccnc1F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.35
CYP1A2 P05177 2/20 0.34
MEN1 O00255 2/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
GLA P06280 1/20 0.34
HIF1A Q16665 5/20 0.33
RAB9A P51151 3/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
APOBEC3A P31941 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 3/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
PPARD Q03181 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
SCHEMBL319697 0.82 KMT2A (0.41) KMT2ACYP1A2MEN1CTDSP1GLA
SCHEMBL4583705 0.81 CYP1A2 (0.38) KMT2AMAPTCYP1A2MEN1CTDSP1
SCHEMBL6684535 0.79 GLA (0.37) KMT2AMEN1GLAHIF1ARAB9A
SCHEMBL4614052 0.78 KMT2A (0.39) KMT2ACYP1A2MEN1CTDSP1GLA
SCHEMBL17917764 0.75 RAB9A (0.50) KMT2AMEN1HIF1ARAB9APOLB
SCHEMBL69203 0.74 CNR2 (0.37) KMT2AMEN1CTDSP1RAB9ASMN1; SMN2
SCHEMBL16540928 0.74 GLA (0.40) KMT2AMAPTCYP1A2MEN1GLA
SCHEMBL7081843 0.73 TAAR1 (0.41) KMT2AMAPTCYP1A2MEN1RAB9A
SCHEMBL6645382 0.72 KMT2A (0.38) KMT2AGLAHIF1ARAB9AKDM4E
SCHEMBL68385 0.71 POLB (0.40) KMT2ACYP1A2MEN1CTDSP1RAB9A

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 276 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3264897-A1 FUNGICIDALLY ACTIVE COMPOUND COMBINATIONS Bayer CropScience Aktiengesellschaft (DE) 2018-01-10 EP claimed
EP-3010889-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-04-27 EP claimed
EP-3010893-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-04-27 EP claimed
EP-2953465-A1 COMPOSITIONS COMPRISING A STREPTOMYCES-BASED BIOLOGICAL CONTROL AGENT AND A FUNGICIDE Bayer Cropscience LP (US) 2015-12-16 EP claimed
EP-2953464-A1 COMPOSITIONS COMPRISING GOUGEROTIN AND A FUNGICIDE Bayer Cropscience LP (US) 2015-12-16 EP claimed
EP-2935267-A1 ARYL SULFIDE DERIVATIVES AND ARYL SULFOXIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES Bayer CropScience AG (DE) 2015-10-28 EP claimed
WO-2015160618-A1 COMPOSITIONS COMPRISING NINGNANMYCIN AND A BIOLOGICAL CONTROL AGENT BAYER CROPSCIENCE LP (US) 2015-10-22 WO claimed
WO-2015160619-A1 COMPOSITIONS COMPRISING NINGNANMYCIN AND A FUNGICIDE BAYER CROPSCIENCE LP (US) 2015-10-22 WO claimed
WO-2015160620-A1 COMPOSITIONS COMPRISING NINGNANMYCIN AND AN INSECTICIDE BAYER CROPSCIENCE LP (US) 2015-10-22 WO claimed
EP-2911513-A1 COMPOSITION COMPRISING A BIOLOGICAL CONTROL AGENT AND A FUNGICIDE Bayer Cropscience LP (US) 2015-09-02 EP claimed
WO-2012004221-A2 ANTHRANILAMIDES IN COMBINATION WITH FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-01-12 WO claimed
EP-2369932-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2011-10-05 EP claimed
JP-2011509971-A 2011-03-31 JP claimed
WO-2011029551-A2 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2011-03-17 WO claimed
WO-2011003533-A2 PROCESS FOR IMPROVING SEEDLING GROWTH AND/OR EARLY EMERGENCE OF CROPS BAYER CROPSCIENCE AG (DE) 2011-01-13 WO claimed
EP-2234489-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE Bayer CropScience AG (DE) 2010-10-06 EP claimed
WO-2010060982-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE SA (FR) 2010-06-03 WO claimed
EP-2136802-A2 USE OF FUNGICIDES FOR TREATING FISH MYCOSES Bayer CropScience Aktiengesellschaft (DE) 2009-12-30 EP claimed
WO-2009090181-A2 PESTICIDE COMPOSITION COMPRISING A TETRAZOLYLOXIME DERIVATIVE AND A FUNGICIDE OR AN INSECTICIDE ACTIVE SUBSTANCE BAYER CROPSCIENCE SA (FR) 2009-07-23 WO claimed
WO-2008128654-A2 USE OF FUNGICIDES FOR TREATING FISH MYCOSES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2008-10-30 WO claimed