SCHEMBL19723652

SCHEMBL19723652

Cc1nc2cc(C(F)(F)F)ccn2c1C(=O)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.56
KDM4E B2RXH2 4/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
PKM P14618 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.51
HSD17B10 Q99714 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TACR1 P25103 2/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 1/20 0.46
KMT2A Q03164 1/20 0.46
PTGER4 P35408 1/20 0.46
GLS O94925 1/20 0.46
HPGD P15428 1/20 0.45

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
SCHEMBL19723548 0.86 DDT (0.50) KDM4ELMNAHTTSMN1; SMN2PKM
SCHEMBL17876427 0.85 KDM4E (0.58) SCDKDM4ELMNAHTTSMN1; SMN2
SCHEMBL1768316 0.85 KDM4E (0.60) SCDKDM4ELMNAHTTSMN1; SMN2
SCHEMBL17676512 0.85 SMN1; SMN2 (0.53) KDM4ELMNAHTTSMN1; SMN2PKM
SCHEMBL12296304 0.83 KDM4E (0.58) KDM4ELMNAHTTSMN1; SMN2PKM
SCHEMBL12296305 0.83 KDM4E (0.58) SCDKDM4ELMNAHTTSMN1; SMN2
SCHEMBL19723811 0.81 KDM4E (0.71) SCDKDM4ELMNAHTTSMN1; SMN2
SCHEMBL12295463 0.81 KDM4E (0.78) KDM4ELMNAHTTSMN1; SMN2PKM
SCHEMBL12295231 0.80 KDM4E (0.55) KDM4ELMNAHTTSMN1; SMN2PKM
SCHEMBL17676251 0.80 SMN1; SMN2 (0.52) KDM4ELMNAHTTSMN1; SMN2PKM

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
EP-3257854-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS, SYNTHESIS THEREOF, AND METHODS OF USING SAME University of Notre Dame du Lac (US) 2017-12-20 EP disclosed