SCHEMBL6411213

SCHEMBL6411213

COc1ccc(NC(=O)CCN2Cc3ccccc3C2=O)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.59
GAA P10253 1/20 0.57
ATM Q13315 1/20 0.57
THRB P10828 1/20 0.57
KMT2A Q03164 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
SIRT1 Q96EB6 1/20 0.53
MAPT P10636 1/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
NAMPT P43490 1/20 0.50
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL11380712 0.81 KDM4E (0.70) THRBKMT2AKDM4EALOX15TSHR
SCHEMBL11347453 0.75 HDAC3 (0.65) KMT2AKDM4EALOX15TSHRSIRT1
SCHEMBL6417347 0.73 POLB (0.57) GAAKMT2AMAPTALDH1A1NPSR1
SCHEMBL11374450 0.73 CHRM2 (0.52) TP53KMT2AKDM4EALOX15TSHR
SCHEMBL11386196 0.73 KDM4E (0.51) GAAKMT2AKDM4EALOX15TSHR
SCHEMBL11378809 0.73 KDM4E (0.51) GAAKMT2AKDM4EALOX15TSHR
SCHEMBL30089331 0.73 GAA (0.51) TP53GAAATMTHRBKMT2A
SCHEMBL6038207 0.73 LMNA (0.47) GAAATMTHRBALOX15ALDH1A1
SCHEMBL9033333 0.73 KMT2A (0.66) ATMKMT2AKDM4ETSHRMAPT
SCHEMBL15233568 0.72 KDM4E (0.75) THRBKMT2AKDM4EALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8771944-B2 Use of micro-RNA as a biomarker of immunomodulatory drug activity CELGENE CORPORATION (US) 2014-07-08 US disclosed
EP-1581205-A1 METHODS OF USING AND COMPOSITIONS COMPRISING (+)-3-(3,4-DIMETHOXY-PHENYL)-3-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONAMIDE CELGENE CORPORATION (US) 2005-10-05 EP disclosed
WO-2004045597-A1 METHODS OF USING AND COMPOSITIONS COMPRISING (+)-3-(3,4-DIMETHOXY-PHENYL)-3-(1-OXO-1,3-DIHYDRO-ISOINDOL-2-YL)-PROPIONAMIDE CELGENE CORPORATION (US) 2004-06-03 WO disclosed