SCHEMBL9506089

SCHEMBL9506089

NCC(=O)NCCCSSCCCNC(=O)CN

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
PAOX Q6QHF9 2/20 0.34
CASP2 P42575 1/20 0.33
LMNA P02545 1/20 0.33
CA9 Q16790 1/20 0.33
TSHR P16473 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
SCHEMBL9506086 0.91 ALDH1A1 (0.46) MEN1KMT2AALDH1A1SMN1; SMN2PAOX
SCHEMBL6319788 0.86 CA2 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL23652308 0.84 MEN1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL12660515 0.83 MEN1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL16853212 0.83 ALDH1A1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL9508397 0.83 CASP2 (0.39) MEN1KMT2AALDH1A1SMN1; SMN2CA1
SCHEMBL9506058 0.81 SLC6A5 (0.45) KMT2ASMN1; SMN2CA1CA2PAOX
SCHEMBL24611784 0.80 ALDH1A1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2PAOX
SCHEMBL14198854 0.80 ALDH1A1 (0.59) MEN1KMT2AALDH1A1SMN1; SMN2PAOX
SCHEMBL8582768 0.80 TSHR (0.43) MEN1KMT2AALDH1A1CA1CA2

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-0432000-B1 REDUCING COMPOSITION FOR PERMANENT HAIRWAVING, COMPRISING AS REDUCING AGENT AN AMINO-MERCAPTOALKYLAMIDE OR ONE OF ITS SALTS, AND ITS USE IN A PROCESS FOR PERMANENT HAIRWAVING L'OREAL (FR) 1993-08-11 EP claimed