SCHEMBL4714647

SCHEMBL4714647

O=C(NN1CCOCC1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 4/20 0.57
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
HPGD P15428 2/20 0.55
ALDH1A1 P00352 1/20 0.55
MAPT P10636 1/20 0.55
KMT2A Q03164 1/20 0.55
CYP2D6 P10635 1/20 0.54
P2RX1 P51575 1/20 0.52
RAF1 P04049 1/20 0.52
BRAF P15056 1/20 0.52
CES2 O00748 1/20 0.51
POLB P06746 1/20 0.51

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
SCHEMBL2679794 0.82 LMNA (0.61) GAAKDM4ELMNASMN1; SMN2NPSR1
SCHEMBL7449220 0.80 SMN1; SMN2 (0.68) LMNASMN1; SMN2ALDH1A1MAPTCYP2D6
SCHEMBL7581128 0.80 POLB (0.74) KDM4ELMNAHTTSMN1; SMN2HPGD
SCHEMBL28037841 0.80 EPHX2 (0.72) LMNASMN1; SMN2HPGDALDH1A1CYP2D6
SCHEMBL3955220 0.79 SMN1; SMN2 (0.71) GAAKDM4ELMNAHTTSMN1; SMN2
SCHEMBL1744820 0.78 LMNA (0.56) LMNASMN1; SMN2ALDH1A1KMT2ACYP2D6
SCHEMBL17478759 0.77 LMNA (0.64) GAALMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL14301340 0.77 L3MBTL1 (0.65) LMNASMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL17478623 0.76 KDM4E (0.66) GAAKDM4ELMNAALDH1A1MAPT
SCHEMBL20363501 0.76 CES2 (0.65) GAALMNAHTTNPSR1ALDH1A1

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-1891066-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-02-27 EP disclosed
WO-2006124462-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2006-11-23 WO disclosed