SCHEMBL2656882

SCHEMBL2656882

COc1ccc(CN2C(=O)C3=C(CCCC3)C2SCC(=O)Nc2ccc(C(=O)O)cn2)cc1.O=C(CSC1C2=C(CCCC2)C(=O)N1Cc1ccc(F)cc1)Nc1ccc(C(=O)O)cn1.O=C(CSC1C2=C(CCCC2)C(=O)N1Cc1ccc2ccsc2c1)Nc1ccccn1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
GCK P35557 1/20 0.33
LMNA P02545 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
F2 P00734 1/20 0.32

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
SCHEMBL5456554 0.85 KMT2A (0.37) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL2656449 0.84 TSHR (0.38) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL2666550 0.82 PORCN (0.37) KMT2AGCK
SCHEMBL2666711 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL2666573 0.81 ALDH1A1 (0.45) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL2666668 0.80 HCRTR1 (0.39) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL2666710 0.78 MAPK1 (0.40) ALDH1A1KDM4ERAB9AMAPTMEN1
SCHEMBL2666708 0.76 GCK (0.43) GCK
SCHEMBL2666539 0.76 MEN1 (0.43) ALDH1A1KDM4EHPGDRAB9AMAPT
SCHEMBL2644477 0.75 OPRM1 (0.41) MEN1KMT2A

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-1960386-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2008-08-27 EP claimed
WO-2007053765-A2 SUBSTITUTED CYCLOALKYLPYRROLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO claimed