SCHEMBL9055430

SCHEMBL9055430

O=C(O)CC1SCN(c2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
HTT P42858 2/20 0.47
POLB P06746 2/20 0.44
GAA P10253 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
GLA P06280 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
USP2 O75604 1/20 0.39
MT-CO2 P00403 1/20 0.38
ALOX5 P09917 1/20 0.38
ADAM17 P78536 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL766087 0.82 CFTR (0.44) POLBGAALMNAKMT2AMEN1
SCHEMBL10729129 0.80 ALDH1A1 (0.44) SMN1; SMN2POLBGAAKMT2AMEN1
SCHEMBL8097433 0.75 MEN1 (0.44) SMN1; SMN2POLBGAALMNAKMT2A
SCHEMBL8103224 0.71 MEN1 (0.44) SMN1; SMN2POLBGAAKMT2AMEN1
SCHEMBL30058504 0.71 MAPT (0.58) HTTPOLBLMNAKMT2AMEN1
SCHEMBL8790062 0.70 CFTR (0.41) POLBKMT2AMEN1ALDH1A1
SCHEMBL8427476 0.70 HTT (0.47) HTTGAAKMT2AMEN1MT-CO2
SCHEMBL11118838 0.68 SMN1; SMN2 (0.63) SMN1; SMN2HTTPOLBGAALMNA
SCHEMBL9055178 0.65 GAA (0.75) SMN1; SMN2HTTGAALMNAKMT2A
SCHEMBL8097540 0.64 POLB (0.36) SMN1; SMN2POLBGAAMAPTALDH1A1

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-0511558-B1 Process for the resolution of racemates and associates of diastereoisomers HOFFMANN LA ROCHE (CH) 1996-10-23 EP claimed
US-5334766-A Process for the resolution of racemic diphosphine oxides HOFFMANN-LA ROCHE INC. (US) 1994-08-02 US claimed
EP-0511558-A2 Process for the resolution of racemates and associates of diastereoisomers F. HOFFMANN-LA ROCHE AG (CH) 1992-11-04 EP claimed
EP-0511558-B1 Process for the resolution of racemates and associates of diastereoisomers HOFFMANN LA ROCHE (CH) 1996-10-23 EP disclosed
US-5334766-A Process for the resolution of racemic diphosphine oxides HOFFMANN-LA ROCHE INC. (US) 1994-08-02 US disclosed
EP-0511558-A2 Process for the resolution of racemates and associates of diastereoisomers F. HOFFMANN-LA ROCHE AG (CH) 1992-11-04 EP disclosed