SCHEMBL8868024

SCHEMBL8868024

CC(C)NC(=S)Nc1cccc(C=CC[O])c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 4/20 0.41
ALOX12 P18054 3/20 0.41
HTT P42858 3/20 0.41
LMNA P02545 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 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 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EPKMHPGDALOX12
SCHEMBL8868030 0.88 KDM4E (0.43) ALDH1A1KDM4EPKMHPGDALOX12
SCHEMBL8868711 0.85 CA12 (0.51) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL8868700 0.85 CA12 (0.51) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL8867428 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EPKMLMNAMEN1
SCHEMBL8867413 0.85 ALDH1A1 (0.52) ALDH1A1KDM4EPKMLMNAMEN1
SCHEMBL8867062 0.83 KMT2A (0.51) ALDH1A1KDM4EPKMLMNAMEN1
SCHEMBL8867056 0.83 KMT2A (0.51) ALDH1A1KDM4EPKMLMNAMEN1
SCHEMBL8867588 0.83 MAPT (0.53) ALDH1A1KDM4EHPGDHTTLMNA
SCHEMBL8867582 0.83 MAPT (0.53) ALDH1A1KDM4EHPGDHTTLMNA

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