SCHEMBL9408656

SCHEMBL9408656

[CH2]C(Sc1nc(OC)cc(OC)n1)C(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 1/20 0.33
ADORA3 P0DMS8 2/20 0.33
CYP1A2 P05177 1/20 0.33
ADORA1 P30542 1/20 0.32

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
SCHEMBL9408815 0.80 LMNA (0.36) LMNASMN1; SMN2L3MBTL1ALDH1A1CYP1A2
SCHEMBL10297587 0.75 TSHR (0.43) LMNASMN1; SMN2L3MBTL1ALDH1A1CYP1A2
SCHEMBL9408872 0.75 ALDH1A1 (0.34) LMNASMN1; SMN2L3MBTL1ALDH1A1ADORA3
SCHEMBL9387574 0.75 LMNA (0.36) LMNASMN1; SMN2L3MBTL1ALDH1A1CYP1A2
SCHEMBL9408732 0.75 ALDH1A1 (0.34) LMNASMN1; SMN2L3MBTL1ALDH1A1ADORA3
SCHEMBL9401444 0.75 ALDH1A1 (0.37) LMNASMN1; SMN2ALDH1A1ADORA3CYP1A2
Ammonia Solution, Strong SCHEMBL9412698 0.70 ALDH1A1 (0.32) ALDH1A1
SCHEMBL9412690 0.70 RECQL (0.32) ALDH1A1
SCHEMBL9412460 0.70 RECQL (0.32) ALDH1A1CYP1A2
SCHEMBL9401363 0.70 ALDH1A1 (0.36) LMNASMN1; SMN2ALDH1A1ADORA3CYP1A2

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
EP-0593998-A1 Pyrimidinylthioalkane herbicides NIHON BAYER AGROCHEM K.K. (JP) 1994-04-27 EP disclosed