SCHEMBL19723733

SCHEMBL19723733

Cc1nc2c(C)cccn2c1C(=O)OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
NPSR1 Q6W5P4 1/20 0.46
MAPK1 P28482 4/20 0.45
RAB9A P51151 2/20 0.45
HCRTR1 O43613 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
NPC1 O15118 1/20 0.45
RXFP1 Q9HBX9 1/20 0.42
KDM4E B2RXH2 3/20 0.40
HPGD P15428 3/20 0.40

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
SCHEMBL19723643 0.88 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL19723612 0.85 SMN1; SMN2 (0.73) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL19723644 0.84 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL19723611 0.82 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL19723614 0.80 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1RXFP1
SCHEMBL19723780 0.79 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1KMT2AMEN1NPSR1
SCHEMBL19723778 0.79 MAPK1 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1NPSR1
SCHEMBL19723615 0.77 SMN1; SMN2 (0.75) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL19723522 0.77 MAPK1 (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1NPSR1
SCHEMBL23029860 0.71 SMN1; SMN2 (0.78) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2

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