SCHEMBL8635622

SCHEMBL8635622

C=CCn1c(=N)sc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F12 P00748 1/20 0.49
HSD17B10 Q99714 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HRH1 P35367 1/20 0.42
SLC5A2 P31639 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL3034960 0.81 L3MBTL1 (0.60) L3MBTL1KDM4EPKMCYP1A2CYP3A4
SCHEMBL28052121 0.79 L3MBTL1 (0.42) HSD17B10L3MBTL1KDM4EPKMMAPT
SCHEMBL6910808 0.79 ALDH1A1 (0.46) HSD17B10L3MBTL1KDM4EPKMMAPT
SCHEMBL4542872 0.79 L3MBTL1 (0.42) HSD17B10L3MBTL1KDM4EPKMMAPT
SCHEMBL515403 0.78 LMNA (0.43) HSD17B10L3MBTL1KDM4EPKMMAPT
SCHEMBL8641172 0.77 F12 (0.58) F12HSD17B10L3MBTL1KDM4EPKM
SCHEMBL11412874 0.76 ALDH1A1 (0.49) L3MBTL1KDM4EPKMMAPTNPC1
SCHEMBL11412871 0.76 ALDH1A1 (0.49) L3MBTL1KDM4EPKMMAPTNPC1
Bromide SCHEMBL27900890 0.75 F12 (0.56) F12HSD17B10L3MBTL1KDM4EPKM
SCHEMBL9161101 0.74 L3MBTL1 (0.65) F12HSD17B10L3MBTL1KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6025200-A None JP disclosed
EP-0568096-B1 Benzothiazole derivative and agricultural and horticultural fingicide composition containing the same HODOGAYA CHEMICAL CO LTD (JP) 1998-07-29 EP disclosed
EP-0407621-B1 BENZOTHIAZOLE DERIVATIVES AS FUNGICIDE HODOGAYA CHEMICAL CO LTD (JP) 1995-03-15 EP disclosed
JP-H0625200-A BENZOTHIAZOLE DERIVATIVE HODOGAYA CHEM CO LTD 1994-02-01 JP disclosed
EP-0568096-A1 Benzothiazole derivative and agricultural and horticultural fingicide composition containing the same HODOGAYA CHEMICAL CO., LTD. (JP) 1993-11-03 EP disclosed
US-5095025-A Fungicide HODOGAYA CHEMICAL CO., LTD. (JP) 1992-03-10 US disclosed
EP-0407621-A1 BENZOTHIAZOLE DERIVATIVES AS FUNGICIDE HODOGAYA CHEMICAL COMPANY, LIMITED (JP) 1991-01-16 EP disclosed