SCHEMBL9401299

SCHEMBL9401299

COc1cc(OC)nc(SC(C)C=O)n1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL9401473 0.90 ALDH1A1 (0.33) LMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL9383520 0.83 LMNA (0.37) LMNASMN1; SMN2ALDH1A1CYP1A2L3MBTL1
SCHEMBL9401270 0.81 KDM4E (0.33) LMNAKDM4E
SCHEMBL9384337 0.79 ALDH1A1 (0.35) LMNASMN1; SMN2ALDH1A1CYP1A2L3MBTL1
SCHEMBL10297587 0.79 TSHR (0.43) LMNASMN1; SMN2ALDH1A1CYP1A2L3MBTL1
SCHEMBL9383531 0.78 ALDH1A1 (0.37) LMNASMN1; SMN2ALDH1A1
SCHEMBL9387574 0.78 LMNA (0.36) LMNASMN1; SMN2ALDH1A1CYP1A2L3MBTL1
SCHEMBL9388328 0.78 ALDH1A1 (0.35) LMNASMN1; SMN2ALDH1A1
SCHEMBL9401358 0.78 ALOX5 (0.39) LMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL9388882 0.76 ADORA3 (0.37) LMNASMN1; SMN2ALDH1A1

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
US-5346880-A Pre- and postemergence NIHON BAYER AGROCHEM K.K. (JP) 1994-09-13 US disclosed
EP-0565951-A1 Herbicidally active pyrimidinylthioalkane derivatives NIHON BAYER AGROCHEM K.K. (JP) 1993-10-20 EP disclosed