SCHEMBL9159142

SCHEMBL9159142

C=CCn1/c(=N\C(=O)OC)sc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.53
MAPT P10636 8/20 0.53
HPGD P15428 3/20 0.53
ALDH1A1 P00352 11/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 2/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 4/20 0.46
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
TRPM5 Q9NZQ8 1/20 0.46
POLB P06746 2/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
PSMD14 O00487 1/20 0.45
MC4R P32245 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45

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
SCHEMBL9159146 1.00 KDM4E (0.53) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL8638139 0.87 KDM4E (0.50) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL8638211 0.84 ALDH1A1 (0.47) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL9160681 0.82 ALDH1A1 (0.48) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL9160672 0.82 ALDH1A1 (0.48) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL8637958 0.82 ALDH1A1 (0.46) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL8636804 0.82 KDM4E (0.46) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL8635416 0.81 KDM4E (0.45) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL8635470 0.79 KDM4E (0.44) KDM4EMAPTHPGDALDH1A1NPC1
SCHEMBL8635121 0.79 ALDH1A1 (0.43) KDM4EMAPTHPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2202881-A None JP disclosed
EP-0407621-B1 BENZOTHIAZOLE DERIVATIVES AS FUNGICIDE HODOGAYA CHEMICAL CO LTD (JP) 1995-03-15 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
JP-H02202881-A BENZOTHIAZOLE DERIVATIVE HODOGAYA CHEM CO LTD 1990-08-10 JP disclosed