SCHEMBL6561307

SCHEMBL6561307

CC=CCCc1ccncc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.46
GPR52 Q9Y2T5 1/20 0.45
HRH1 P35367 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HRH3 Q9Y5N1 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 4/20 0.38
CYP3A4 P08684 4/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C19 P33261 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 1/20 0.38
HIF1A Q16665 1/20 0.37
HRH4 Q9H3N8 1/20 0.37
NPC1 O15118 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL6561303 1.00 LOXL2 (0.46) LOXL2GPR52HRH1KMT2AMEN1
SCHEMBL27533246 0.82 LOXL2 (0.50) LOXL2GPR52HRH1KMT2AMEN1
SCHEMBL151828 0.77 LOXL2 (0.48) LOXL2HRH1KMT2AMEN1CYP1A2
SCHEMBL448516 0.77 GPR52 (0.55) GPR52KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL10009929 0.77 HRH3 (0.43) GPR52HRH3
SCHEMBL106847 0.77 GPR52 (0.55) GPR52KMT2AMEN1ALDH1A1HSD17B10
SCHEMBL27411167 0.77 LOXL2 (0.54) LOXL2GPR52HRH1KMT2AMEN1
P-Xylene SCHEMBL11767119 0.76 CYP1A2 (0.48) GPR52KMT2AMEN1HRH3TDP1
SCHEMBL105975 0.76 CYP1A2 (0.48) GPR52KMT2AMEN1HRH3TDP1
SCHEMBL713023 0.76 CYP1A2 (0.48) GPR52KMT2AMEN1HRH3TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891970-B1 Process for producing alkenylsubstituted pyridine derivatives SUMITOMO CHEMICAL CO (JP) 2004-10-13 EP disclosed
US-6008364-A Process for producing alkenyl--substituted pyridine derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-28 US disclosed
EP-0891970-A1 Process for producing alkenylsubstituted pyridine derivatives SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-01-20 EP disclosed