SCHEMBL10281177

SCHEMBL10281177

C=C(Nc1cc(C)cnc1NC)c1ccccc1SCC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.41
ALOX15 P16050 2/20 0.41
HSD17B10 Q99714 4/20 0.39
ALDH1A1 P00352 5/20 0.36
HPGD P15428 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PKM P14618 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32

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
SCHEMBL9952117 0.86 MAPK1 (0.54) MAPK1ALOX15HSD17B10ALDH1A1HPGD
SCHEMBL15412709 0.81 MAPK1 (0.45) MAPK1ALOX15HSD17B10ALDH1A1HPGD
SCHEMBL15427212 0.74 HSD17B10 (0.51) MAPK1ALOX15HSD17B10ALDH1A1HPGD
SCHEMBL9952288 0.72 RXFP1 (0.48) MAPK1ALOX15HSD17B10ALDH1A1HPGD
SCHEMBL15412711 0.66 ALOX15 (0.34) MAPK1ALOX15HSD17B10ALDH1A1HPGD
SCHEMBL27914887 0.66 L3MBTL1 (0.53) ALDH1A1L3MBTL1MAPTLMNAKDM4E
SCHEMBL17286442 0.65 MAPK1 (0.62) MAPK1ALOX15HSD17B10ALDH1A1HPGD
SCHEMBL20708654 0.64 NOS3 (0.37)
SCHEMBL25468268 0.63 CHRNA7 (0.32) HSD17B10ALDH1A1HPGDMAPTKDM4E
SCHEMBL18624697 0.63 MAPK1 (0.56) MAPK1ALOX15HSD17B10ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655337-B1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2016-11-23 EP disclosed
WO-2012086848-A1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-06-28 WO disclosed