SCHEMBL8975857

SCHEMBL8975857

CN(C)CC(CCS)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.38
RAB9A P51151 2/20 0.38
ATM Q13315 2/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
FOLH1 Q04609 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
ANPEP P15144 1/20 0.33
ENPEP Q07075 1/20 0.33
LMNA P02545 1/20 0.33
PAX8 Q06710 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2D6 P10635 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31

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
SCHEMBL8975947 0.88 CA1 (0.44) HTTRAB9AATMNPC1MAPT
SCHEMBL8975680 0.84 FOLH1 (0.44) HTTRAB9AATMNPC1MAPT
SCHEMBL19072081 0.83 CA2 (0.47) HTTRAB9AATMNPC1MAPT
SCHEMBL16773752 0.77 CA2 (0.50) HTTRAB9AATMNPC1MAPT
SCHEMBL8976076 0.74 SLC1A3 (0.41) FOLH1CA1CA2ANPEPENPEP
SCHEMBL8975926 0.74 CHRNB2 (0.32) ANPEPENPEPCHRNB2CHRNB4CHRNA3
SCHEMBL5500834 0.73 FOLH1 (0.40) FOLH1CA1CA2ANPEPENPEP
SCHEMBL8976208 0.72 CA1 (0.36) FOLH1CA1CA2ANPEPENPEP
SCHEMBL8976008 0.71 CHRNB2 (0.35) FOLH1CA1CA2ANPEPENPEP
SCHEMBL8975878 0.71 ENPEP (0.32) ENPEPCHRNB2CHRNB4CHRNA3CHRNA4

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-0514282-B1 Alkylamino mercaptoalkylamides or salts thereof acceptable for cosmetic use, their use as a reducing agent and a process for the permanent deformation of hair OREAL (FR) 1996-04-10 EP claimed