SCHEMBL13150451

SCHEMBL13150451

C=C(O)Cc1csc(-c2ccc(Cl)c(C(F)(F)F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
LMNA P02545 2/20 0.44
SHMT2 P34897 2/20 0.43
SHMT1 P34896 1/20 0.43
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
EIF4E P06730 5/20 0.42
RHOC P08134 1/20 0.42
RHOA P61586 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
HTT P42858 1/20 0.41
CASP3 P42574 1/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL628055 0.88 LMNA (0.60) NOTUMLMNASHMT2SHMT1KDM4E
SCHEMBL13150483 0.86 MPL (0.51) LMNASHMT2KDM4EALDH1A1HPGD
SCHEMBL13148538 0.85 KDM4E (0.45) LMNASHMT2KDM4EALDH1A1HPGD
SCHEMBL13148647 0.82 KDM4E (0.39) NOTUMLMNASHMT2SHMT1KDM4E
SCHEMBL13148954 0.78 LMNA (0.47) LMNASHMT2KDM4EALDH1A1HPGD
SCHEMBL13148659 0.78 RHOC (0.47) LMNAKDM4EALDH1A1HPGDGAA
SCHEMBL13148438 0.78 EIF4E (0.46) NOTUMLMNASHMT2SHMT1KDM4E
SCHEMBL13148445 0.75 LMNA (0.43) LMNASHMT2SHMT1KDM4EALDH1A1
SCHEMBL629987 0.75 NOTUM (0.53) NOTUMEIF4ERHOCRHOACASP3
SCHEMBL13148641 0.73 KDM4E (0.48) LMNAKDM4EALDH1A1HPGDGAA

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
WO-2010120741-A1 COMPOSITIONS AND METHODS FOR MODULATING RETINOL BINDING TO RETINOL BINDING PROTEIN 4 (RBP4) IRM LLC (US) 2010-10-21 WO disclosed