SCHEMBL8768674

SCHEMBL8768674

COC(=O)CN(C)c1cccc(Br)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.40
HTR7 P34969 2/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HTR1A P08908 2/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
GRM5 P41594 1/20 0.35
NCEH1 Q6PIU2 1/20 0.34
PKM P14618 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL25272926 0.83 HSD17B10 (0.36) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL8769158 0.83 PTGER2 (0.43) CLK1HTR7ALDH1A1HPGDHTR1A
SCHEMBL9399671 0.78 CNR1 (0.46) HTR7ALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL8768691 0.78 ACACB (0.35) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL23725275 0.77 ALDH1A1 (0.39) CLK1HTR7ALDH1A1HPGDHTR1A
SCHEMBL8769345 0.76 ACACB (0.39) ALDH1A1MAPK1HPGDNPC1RAB9A
SCHEMBL9158138 0.75 CNR1 (0.54) ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL25224130 0.74 ALDH1A1 (0.46) ALDH1A1MAPK1HPGDSMN1; SMN2NPC1
SCHEMBL1110998 0.73 HTR7 (0.42) CLK1HTR7HTR1ADRD2HTR2A
SCHEMBL31598824 0.73 HTR7 (0.47) CLK1HTR7ALDH1A1CHRNB2CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0579908-B1 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1997-09-10 EP claimed
EP-0579908-A2 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1994-01-26 EP claimed
CN-103947645-A 1- (pyrid-3-yl) -pyrazole and 1- (pyrimid-5-yl) -pyrazole as pesticide BAYER CROPSCIENCE AG 2014-07-30 CN disclosed
CN-102573478-A 1- (pyridin-3-yl) -pyrazoles and 1- (pyrimidin-5-yl) -pyrazoles as pesticides BAYER CROPSCIENCE AG 2012-07-11 CN disclosed
EP-0579908-B1 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1997-09-10 EP disclosed
US-5434267-A Process for the preparation of substituted 3-alkoxyacrylates BAYER AKTIENGESELLSCHAFT (DE) 1995-07-18 US disclosed
US-5371095-A Fungicides, miticides BAYER AKTIENGESELLSCHAFT (DE) 1994-12-06 US disclosed
US-5310919-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1994-05-10 US disclosed
EP-0579908-A2 Pyridyl derivatives, process for their preparation and their use as pesticides BAYER AG (DE) 1994-01-26 EP disclosed
US-5196541-A PROCESS FOR THE PREPARATION OF SUBSTITUTED 3-AMINOACRYLIC ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1993-03-23 US disclosed
US-5120734-A FUNGICIDAL PYRID-2-YL-AMINO ACETIC ACID ESTERS BAYER AKTIENGESELLSCHAFT (DE) 1992-06-09 US disclosed
US-5008275-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1991-04-16 US disclosed