SCHEMBL8635470

SCHEMBL8635470

C=CCn1c(=NC(=O)NOCCCC)sc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.44
MAPT P10636 5/20 0.44
HPGD P15428 3/20 0.44
CNR1 P21554 4/20 0.43
CNR2 P34972 4/20 0.43
ALDH1A1 P00352 7/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 2/20 0.42
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 2/20 0.41
GAA P10253 2/20 0.41
KMT2A Q03164 2/20 0.41
PSMD14 O00487 1/20 0.41
POLB P06746 1/20 0.41
MC4R P32245 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 2/20 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
SCHEMBL8635416 0.94 KDM4E (0.45) KDM4EMAPTHPGDCNR1CNR2
SCHEMBL8637958 0.89 ALDH1A1 (0.46) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL8638139 0.85 KDM4E (0.50) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL8635369 0.83 KDM4E (0.47) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL8636804 0.82 KDM4E (0.46) KDM4EMAPTHPGDCNR1CNR2
SCHEMBL8638211 0.80 ALDH1A1 (0.47) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL9159146 0.79 KDM4E (0.53) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL9159142 0.79 KDM4E (0.53) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL8636966 0.77 NPSR1 (0.57) MAPTCNR1CNR2ALDH1A1NPC1
SCHEMBL8633551 0.76 CNR1 (0.55) KDM4EMAPTHPGDCNR1CNR2

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-0568096-B1 Benzothiazole derivative and agricultural and horticultural fingicide composition containing the same HODOGAYA CHEMICAL CO LTD (JP) 1998-07-29 EP claimed
EP-0568096-A1 Benzothiazole derivative and agricultural and horticultural fingicide composition containing the same HODOGAYA CHEMICAL CO., LTD. (JP) 1993-11-03 EP claimed