SCHEMBL8868531

SCHEMBL8868531

CCCNC(=S)Nc1cccc(/C=C/CO)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
LMNA P02545 3/20 0.55
MAPT P10636 5/20 0.51
GAA P10253 3/20 0.51
ALOX12 P18054 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
HTT P42858 2/20 0.42
RHOA P61586 1/20 0.42
POLB P06746 1/20 0.41
ALDH1A1 P00352 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
SCHEMBL8867596 0.89 MAPT (0.51) KMT2ALMNAMAPTGAASMN1; SMN2
SCHEMBL8868523 0.88 KMT2A (0.55) KMT2ALMNAMAPTGAAALOX12
SCHEMBL8868516 0.88 KMT2A (0.55) KMT2ALMNAMAPTGAAALOX12
SCHEMBL8868116 0.84 MAPT (0.60) KMT2AMAPTMEN1HTTALDH1A1
SCHEMBL8867437 0.83 ALDH1A1 (0.50) KMT2ALMNAMAPTGAASMN1; SMN2
SCHEMBL8867071 0.82 KMT2A (0.53) KMT2ALMNAMAPTGAAKDM4E
SCHEMBL8868163 0.82 MAPT (0.61) KMT2ALMNAMAPTGAACYP1A2
SCHEMBL8868030 0.80 KDM4E (0.43) KMT2ALMNAMAPTGAAALOX12
SCHEMBL8867582 0.77 MAPT (0.53) KMT2ALMNAMAPTGAASMN1; SMN2
SCHEMBL8867588 0.77 MAPT (0.53) KMT2ALMNAMAPTGAASMN1; SMN2

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