SCHEMBL9064675

SCHEMBL9064675

C=CCN(C=O)c1ccccc1S

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 1/20 0.36
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 1/20 0.30
CYP1A2 P05177 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
SCHEMBL10434660 0.79 C5AR1 (0.36) C5AR1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8772379 0.77 C5AR1 (0.37) C5AR1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL1573641 0.76 ALDH1A1 (0.45) C5AR1KDM4EMEN1KMT2APOLB
SCHEMBL13993546 0.75 C5AR1 (0.37) C5AR1KDM4ESMN1; SMN2
SCHEMBL7302336 0.74 C5AR1 (0.35) C5AR1CYP1A2
SCHEMBL29959951 0.73 ESR1 (0.42) C5AR1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL277886 0.73 ESR1 (0.42) C5AR1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL9541015 0.72 AKR1B1 (0.43) KDM4EMEN1KMT2ASMN1; SMN2POLB
SCHEMBL9240859 0.71 ALDH1A1 (0.40) MEN1KMT2A
SCHEMBL13946415 0.67 SIGMAR1 (0.38) KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0526737-B1 Process for the preparation of dihydroxyacetone BASF AG (DE) 1995-03-15 EP claimed
EP-0526737-A1 Process for the preparation of dihydroxyacetone BASF Aktiengesellschaft (DE) 1993-02-10 EP claimed
EP-0544157-B1 Process for the preparation of 1,2-propyleneglycol BASF AG (DE) 1996-02-28 EP disclosed
US-5410089-A A phase transfer catalysis of a formaldehyde aqueous solution with a water immiscible solvent containing an active form of a thiazolium ylide catalysts BASF AKTIENGESELLSCHAFT (DE) 1995-04-25 US disclosed
US-5306847-A Catalytic hydrogenation of dihydroxyacetone BASF AKTIENGESELLSCHAFT (DE) 1994-04-26 US disclosed
EP-0544157-A2 Process for the preparation of 1,2-propyleneglycol BASF Aktiengesellschaft (DE) 1993-06-02 EP disclosed