SCHEMBL11166997

SCHEMBL11166997

S=C1NCCCCCCCCCN1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.46
FKBP5 Q13451 1/20 0.36
CRBN Q96SW2 1/20 0.36
ALDH1A1 P00352 2/20 0.35
OR51E2 Q9H255 1/20 0.32
PKM P14618 1/20 0.30
GFER P55789 1/20 0.30

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
SCHEMBL8961691 1.00
SCHEMBL11307896 1.00 SMN1; SMN2 (0.48) SMN1; SMN2HTTLMNAFKBP5CRBN
SCHEMBL518177 0.96
SCHEMBL18183400 0.93 SMN1; SMN2 (0.48) SMN1; SMN2HTTLMNAFKBP5CRBN
SCHEMBL90036 0.89
Water SCHEMBL17728195 0.83 SMN1; SMN2 (0.46) SMN1; SMN2HTTLMNAOR51E2
Acetic Acid SCHEMBL15380790 0.82 SMN1; SMN2 (0.36) SMN1; SMN2HTTLMNAFKBP5CRBN
Ethylene Thiourea SCHEMBL27860837 0.81 SMN1; SMN2 (0.65) SMN1; SMN2HTTLMNA
Ethylene Thiourea SCHEMBL41176 0.81
Ethylene Thiourea SCHEMBL18426656 0.77 SMN1; SMN2 (0.61) SMN1; SMN2HTTLMNA

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-4399075-A Process for producing chlorinated phenoxytoluene derivatives ASAHI CHEMICAL COMPANY, LIMITED (JP) 1983-08-16 US disclosed