SCHEMBL9488392

SCHEMBL9488392

CCC(C#N)(CC)NC(=O)C(C)Oc1ccc(Cl)cc1Cl

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 6/20 0.55
HPGD P15428 3/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
ALDH1A1 P00352 4/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
KDM4E B2RXH2 2/20 0.55
HTT P42858 2/20 0.55
GAA P10253 3/20 0.53
PKM P14618 1/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
HEXD Q8WVB3 1/20 0.47

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
SCHEMBL9487269 0.90 TSHR (0.54) SMN1; SMN2LMNAHPGDTSHRMAPK1
SCHEMBL7266571 0.83 SMN1; SMN2 (0.41) SMN1; SMN2LMNAHPGDTSHRMAPK1
SCHEMBL21094 0.82 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHPGDTSHRMAPK1
SCHEMBL4620431 0.82 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHPGDTSHRMAPK1
SCHEMBL4620434 0.82 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHPGDTSHRMAPK1
SCHEMBL4620207 0.82 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHPGDTSHRMAPK1
SCHEMBL4620213 0.82 SMN1; SMN2 (0.57) SMN1; SMN2LMNAHPGDTSHRMAPK1
SCHEMBL3231214 0.81 SMN1; SMN2 (0.56) SMN1; SMN2LMNAHPGDTSHRMAPK1
SCHEMBL5374163 0.77 SMN1; SMN2 (0.51) SMN1; SMN2LMNAHPGDTSHRMAPK1
SCHEMBL7427578 0.75 SMN1; SMN2 (0.60) SMN1; SMN2LMNAHPGDTSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0262393-B1 DERIVATIVES OF ARYLOXYCARBONIC ACIDS, THEIR PREPARATION AND THEIR USE SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1993-01-07 EP disclosed
EP-0262393-A1 Derivatives of aryloxycarbonic acids, their preparation and their use SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-04-06 EP disclosed