SCHEMBL14013267

SCHEMBL14013267

O=C(c1cnn2c(C(F)(F)F)cc(-c3ccc(O)cc3)nc12)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.73
HPGD P15428 11/20 0.67
TSHR P16473 6/20 0.67
TP53 P04637 1/20 0.67
ALDH1A1 P00352 9/20 0.62
HSD17B10 Q99714 4/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
MAPK1 P28482 1/20 0.56
LMNA P02545 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
GAA P10253 1/20 0.55
CASP1 P29466 2/20 0.54
CASP7 P55210 2/20 0.54

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
SCHEMBL4211751 0.94 KDM4E (0.77) KDM4EHPGDTSHRTP53ALDH1A1
SCHEMBL14013253 0.93 KDM4E (0.73) KDM4EHPGDTSHRTP53ALDH1A1
SCHEMBL4200844 0.92 ALDH1A1 (0.74) KDM4EHPGDTSHRTP53ALDH1A1
SCHEMBL4203621 0.90 ALDH1A1 (0.70) KDM4EHPGDTSHRTP53ALDH1A1
SCHEMBL14013763 0.90 KDM4E (0.69) KDM4EHPGDTSHRTP53ALDH1A1
SCHEMBL14013857 0.90 KDM4E (0.71) KDM4EHPGDTSHRTP53ALDH1A1
SCHEMBL14013876 0.88 KDM4E (0.67) KDM4EHPGDTSHRTP53ALDH1A1
SCHEMBL4206709 0.87 HPGD (0.77) KDM4EHPGDTSHRTP53ALDH1A1
SCHEMBL14013218 0.87 KDM4E (0.69) KDM4EHPGDTSHRTP53ALDH1A1
SCHEMBL14013764 0.85 ALDH1A1 (0.68) KDM4EHPGDTSHRTP53ALDH1A1

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-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed