SCHEMBL17749503

SCHEMBL17749503

CCCn1c(=N)n(CC(O)COc2ccc(Cl)cc2Cl)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.74
LMNA P02545 7/20 0.74
NPSR1 Q6W5P4 5/20 0.74
KMT2A Q03164 4/20 0.74
MEN1 O00255 3/20 0.74
GAA P10253 1/20 0.74
IDE P14735 1/20 0.74
XBP1 P17861 1/20 0.74
PAX8 Q06710 1/20 0.74
TP53 P04637 7/20 0.74
MAPT P10636 4/20 0.74
F8 P00451 1/20 0.74
F5 P12259 1/20 0.74
MAPK1 P28482 5/20 0.61
TSHR P16473 8/20 0.60
ALDH1A1 P00352 1/20 0.60
ALOX15 P16050 1/20 0.59
ATM Q13315 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HTT P42858 2/20 0.53

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
SCHEMBL17749565 0.89 TP53 (0.71) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL17761713 0.89 TP53 (0.71) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL17761742 0.89 TP53 (0.71) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL2505043 0.86 LMNA (0.98) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL17749545 0.85 SMN1; SMN2 (1.00) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL17749572 0.84 MAPK1 (0.79) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL17749492 0.84 LMNA (0.73) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL17749616 0.82 MAPT (1.00) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL17749562 0.81 SMN1; SMN2 (0.51) SMN1; SMN2LMNANPSR1KMT2AMEN1
SCHEMBL17749497 0.79 LMNA (0.86) SMN1; SMN2LMNANPSR1KMT2AMEN1

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
WO-2016077541-A1 NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-05-19 WO claimed
WO-2016077541-A1 NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-05-19 WO disclosed
WO-2016077541-A1 NOVEL ANTI-INFECTIVE COMPOUNDS AND METHODS USING SAME THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2016-05-19 WO disclosed