SCHEMBL8868030

SCHEMBL8868030

CC(C)NC(=S)Nc1cccc(/C=C/CO)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
RHOA P61586 1/20 0.43
ALDH1A1 P00352 5/20 0.42
HTT P42858 3/20 0.42
ALOX12 P18054 3/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 2/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL8868021 0.88 ALDH1A1 (0.44) KDM4EALDH1A1HTTALOX12HPGD
SCHEMBL8868024 0.88 ALDH1A1 (0.44) KDM4EALDH1A1HTTALOX12HPGD
SCHEMBL8867437 0.85 ALDH1A1 (0.50) KDM4ERHOAALDH1A1GAAMAPT
SCHEMBL8868715 0.84 CA12 (0.51) RHOAMAPK1MAPTMEN1KMT2A
SCHEMBL8867071 0.83 KMT2A (0.53) KDM4ERHOAALDH1A1GAAMAPT
SCHEMBL8867596 0.82 MAPT (0.51) KDM4ERHOAALDH1A1HTTHPGD
SCHEMBL8868531 0.80 KMT2A (0.56) KDM4ERHOAALDH1A1HTTALOX12
SCHEMBL8868163 0.77 MAPT (0.61) KDM4ERHOAALDH1A1HTTGAA
SCHEMBL8867685 0.73 MAOB (0.46) RHOAMAPTPKMMEN1KMT2A
SCHEMBL13754517 0.73 ALOX12 (0.62) KDM4EALDH1A1HTTALOX12HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686484-A ANTHELMINTICS, ACARICIDES, INSECTICIDES SANKYO CO., LTD. (JP) 1997-11-11 US disclosed