SCHEMBL11040205

SCHEMBL11040205

C=CCNC(=O)ONOC(=O)NCC=C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 2/20 0.46
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.39
FAAH O00519 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 3/20 0.37
HPGD P15428 3/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
NPC1 O15118 1/20 0.34
MEN1 O00255 1/20 0.33

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
SCHEMBL21253747 0.84
SCHEMBL29254636 0.80 KMT2A (0.52) SMN1; SMN2TSHRMAPTKMT2AALDH1A1
SCHEMBL890270 0.78
SCHEMBL7345624 0.78
SCHEMBL10117997 0.78
SCHEMBL4554697 0.77 SMN1; SMN2 (0.43) SMN1; SMN2TSHRMAPTKMT2AALDH1A1
SCHEMBL23111386 0.76 TSHR (0.46) SMN1; SMN2TSHRMAPTKMT2AALDH1A1
SCHEMBL3026859 0.76
SCHEMBL249990 0.76
SCHEMBL4746818 0.76 SMN1; SMN2 (0.46) SMN1; SMN2TSHRMAPTKMT2AALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0051273-B1 TRIALKYLAMINE/SULFUR DIOXIDE CATALYZED SULFENYLATION OF CARBAMATES FMC Corporation (US) 1985-01-02 EP disclosed
EP-0051273-A1 Trialkylamine/sulfur dioxide catalyzed sulfenylation of carbamates FMC Corporation (US) 1982-05-12 EP disclosed
US-4329293-A Trialkylamine/sulfur dioxide catalyzed sulfenylation of carbamates FMC CORPORATION (US) 1982-05-11 US disclosed